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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/docs/scripts/html/ExtractFromPDBFiles.html Wed Jan 20 09:23:18 2016 -0500 @@ -0,0 +1,360 @@ +<html> +<head> +<title>MayaChemTools:Documentation:ExtractFromPDBFiles.pl</title> +<meta http-equiv="content-type" content="text/html;charset=utf-8"> +<link rel="stylesheet" type="text/css" href="../../css/MayaChemTools.css"> +</head> +<body leftmargin="20" rightmargin="20" topmargin="10" bottommargin="10"> +<br/> +<center> +<a href="http://www.mayachemtools.org" title="MayaChemTools Home"><img src="../../images/MayaChemToolsLogo.gif" border="0" alt="MayaChemTools"></a> +</center> +<br/> +<div class="DocNav"> +<table width="100%" border=0 cellpadding=0 cellspacing=2> +<tr align="left" valign="top"><td width="33%" align="left"><a href="./ExtendedConnectivityFingerprints.html" title="ExtendedConnectivityFingerprints.html">Previous</a> <a href="./index.html" title="Table of Contents">TOC</a> <a href="./ExtractFromSDFiles.html" title="ExtractFromSDFiles.html">Next</a></td><td width="34%" align="middle"><strong>ExtractFromPDBFiles.pl</strong></td><td width="33%" align="right"><a href="././code/ExtractFromPDBFiles.html" title="View source code">Code</a> | <a href="./../pdf/ExtractFromPDBFiles.pdf" title="PDF US Letter Size">PDF</a> | <a href="./../pdfgreen/ExtractFromPDBFiles.pdf" title="PDF US Letter Size with narrow margins: www.changethemargins.com">PDFGreen</a> | <a href="./../pdfa4/ExtractFromPDBFiles.pdf" title="PDF A4 Size">PDFA4</a> | <a href="./../pdfa4green/ExtractFromPDBFiles.pdf" title="PDF A4 Size with narrow margins: www.changethemargins.com">PDFA4Green</a></td></tr> +</table> +</div> +<p> +</p> +<h2>NAME</h2> +<p>ExtractFromPDBFiles.pl - Extract specific data from PDBFile(s)</p> +<p> +</p> +<h2>SYNOPSIS</h2> +<p>ExtractFromPDBFiles.pl PDBFile(s)...</p> +<p>ExtractFromPDBFiles.pl [<strong>-a, --Atoms</strong> "AtomNum, [AtomNum...]" | "StartAtomNum, EndAtomNum" | +"AtomName, [AtomName...]"] [<strong>-c, --chains</strong> First | All | "ChainID, [ChainID,...]"] +[<--CombineChains> yes | no] [<strong>-d, --distance</strong> number] [<strong>--DistanceMode</strong> Atom | Hetatm | Residue | XYZ] +[<strong>--DistanceOrigin</strong> "AtomNumber, AtomName" | "HetatmNumber, HetAtmName" | "ResidueNumber, ResidueName, [ChainID]" | "X,Y,Z">] +[<--DistanceSelectionMode> ByAtom | ByResidue] [<strong>-h, --help</strong>] [<strong>-k, --KeepOldRecords</strong> yes | no] +[<strong>-m, --mode </strong> Chains | Sequences | Atoms | CAlphas | AtomNums | AtomsRange | AtomNames | +ResidueNums | ResiduesRange | ResidueNames | Distance | NonWater | NonHydrogens] +[<strong>--ModifyHeader</strong> yes | no] [<strong>--NonStandardKeep</strong> yes | no] [<strong>--NonStandardCode</strong> character] +[<strong>-o, --overwrite</strong>] [<strong>-r, --root</strong> rootname] <strong>--RecordMode</strong> <em>Atom | Hetatm | AtomAndHetatm</em>] +[<strong>--Residues</strong> "ResidueNum,[ResidueNum...]" | StartResidueNum,EndResiduNum ] +[<strong>--SequenceLength</strong> number] [<strong>--SequenceRecords</strong> Atom | SeqRes] +[<strong>--SequenceIDPrefix</strong> FileName | HeaderRecord | Automatic] +[<strong>--WaterResidueNames</strong> Automatic | "ResidueName, [ResidueName,...]"] +[<strong>-w, --WorkingDir</strong> dirname] PDBFile(s)...</p> +<p> +</p> +<h2>DESCRIPTION</h2> +<p>Extract specific data from <em>PDBFile(s)</em> and generate appropriate PDB or sequence file(s). +Multiple PDBFile names are separated by spaces. The valid file extension is <em>.pdb</em>. +All other file name extensions are ignored during the wild card expansion. All the PDB files +in a current directory can be specified either by <em>*.pdb</em> or the current directory name.</p> +<p>During <em>Chains</em> and <em>Sequences</em> values of <strong>-m, --mode</strong> option, all ATOM/HETAM records +for chains after the first model in PDB fils containing data for multiple models are ignored.</p> +<p> +</p> +<h2>OPTIONS</h2> +<dl> +<dt><strong><strong>-a, --Atoms</strong> <em>"AtomNum,[AtomNum...]" | "StartAtomNum,EndAtomNum" | "AtomName,[AtomName...]"</em></strong></dt> +<dd> +<p>Specify which atom records to extract from <em>PDBFiles(s)</em> during <em>AtomNums</em>, +<em>AtomsRange</em>, and <em>AtomNames</em> value of <strong>-m, --mode</strong> option: extract records +corresponding to atom numbers specified in a comma delimited list of atom numbers/names, +or with in the range of start and end atom numbers. Possible values: <em>"AtomNum[,AtomNum,..]"</em>, +<em>StartAtomNum,EndAtomNum</em>, or <em>"AtomName[,AtomName,..]"</em>. Default: <em>None</em>. Examples:</p> +<div class="OptionsBox"> + 10 +<br/> 15,20 +<br/> N,CA,C,O</div> +</dd> +<dt><strong><strong>-c, --chains</strong> <em>First | All | ChainID,[ChainID,...]</em></strong></dt> +<dd> +<p>Specify which chains to extract from <em>PDBFile(s)</em> during <em>Chains | Sequences</em> value of +<strong>-m, --mode</strong> option: first chain, all chains, or a specific list of comma delimited chain IDs. +Possible values: <em>First | All | ChainID,[ChainID,...]</em>. Default: <em>First</em>. Examples:</p> +<div class="OptionsBox"> + A +<br/> A,B +<br/> All</div> +</dd> +<dt><strong><strong>--CombineChains</strong> <em>yes | no</em></strong></dt> +<dd> +<p>Specify whether to combine extracted chains data into a single file during <em>Chains</em> or +<em>Sequences</em> value of <strong>-m, --mode</strong> option. Possible values: <em>yes | no</em>. Default: <em>no</em>.</p> +<p>During <em>Chains</em> value of <-m, --mode> option with <em>Yes</em> value of <--CombineChains>, +extracted data for specified chains is written into a single file instead of individual file for each +chain.</p> +<p>During <em>Sequences</em> value of <-m, --mode> option with <em>Yes</em> value of <--CombineChains>, +residues sequences for specified chains are extracted and concatenated into a single sequence +file instead of individual file for each chain.</p> +</dd> +<dt><strong><strong>-d, --distance</strong> <em>number</em></strong></dt> +<dd> +<p>Specify distance used to extract ATOM/HETATM recods during <em>Distance</em> value of +<strong>-m, --mode</strong> option. Default: <em>10.0</em> angstroms.</p> +<p><strong>--RecordMode</strong> option controls type of record lines to extract from <em>PDBFile(s)</em>: +ATOM, HETATM or both.</p> +</dd> +<dt><strong><strong>--DistanceMode</strong> <em>Atom | Hetatm | Residue | XYZ</em></strong></dt> +<dd> +<p>Specify how to extract ATOM/HETATM records from <em>PDBFile(s)</em> during <em>Distance</em> value of +<strong>-m, --mode</strong> option: extract all the records within a certain distance specifed by <strong>-d, --distance</strong> +from an atom or hetro atom record, a residue, or any artbitrary point. Possible values: <em>Atom | +Hetatm | Residue | XYZ</em>. Default: <em>XYZ</em>.</p> +<p>During <em>Residue</em> value of <strong>--distancemode</strong>, distance of ATOM/HETATM records is calculated from +all the atoms in the residue and the records are selected as long as any atom of the residue lies with +in the distace specified using <strong>-d, --distance</strong> option.</p> +<p><strong>--RecordMode</strong> option controls type of record lines to extract from <em>PDBFile(s)</em>: +ATOM, HETATM or both.</p> +</dd> +<dt><strong><strong>--DistanceSelectionMode</strong> <em>ByAtom | ByResidue</em></strong></dt> +<dd> +<p>Specify how how to extract ATOM/HETATM records from <em>PDBFile(s)</em> during <em>Distance</em> value of +<strong>-m, --mode</strong> option for all values of <strong>--DistanceMode</strong> option: extract only those ATOM/HETATM +records that meet specified distance criterion; extract all records corresponding to a residue as +long as one of the ATOM/HETATM record in the residue satisfies specified distance criterion. Possible +values: <em>ByAtom, ByResidue</em>. Default value: <em>ByAtom</em>.</p> +</dd> +<dt><strong><strong>--DistanceOrigin</strong> <em>"AtomNumber,AtomName" | "HetatmNumber,HetAtmName" | "ResidueNumber,ResidueName[,ChainID]" | "X,Y,Z"</em></strong></dt> +<dd> +<p>This value is <strong>--distancemode</strong> specific. In general, it identifies a point used to select +other ATOM/HETATMS with in a specific distance from this point.</p> +<p>For <em>Atom</em> value of <strong>--distancemode</strong>, this option corresponds to an atom specification. +Format: <em>AtomNumber,AtomName</em>. Example:</p> +<div class="OptionsBox"> + 455,CA</div> +<p>For <em>Hetatm</em> value of <strong>--distancemode</strong>, this option corresponds to a hetatm specification. +Format: <em>HetatmNumber,HetAtmName</em>. Example:</p> +<div class="OptionsBox"> + 5295,C1</div> +<p>For <em>Residue</em> value of <strong>--distancemode</strong>, this option corresponds to a residue specification. +Format: <em>ResidueNumber, ResidueName[,ChainID]</em>. Example:</p> +<div class="OptionsBox"> + 78,MSE +<br/> 977,RET,A +<br/> 978,RET,B</div> +<p>For <em>XYZ</em> value of <strong>--distancemode</strong>, this option corresponds to a coordinate of an +arbitrary point. Format: <em>X,Y,X</em>. Example:</p> +<div class="OptionsBox"> + 10.044,19.261,-4.292</div> +<p><strong>--RecordMode</strong> option controls type of record lines to extract from <em>PDBFile(s)</em>: +ATOM, HETATM or both.</p> +</dd> +<dt><strong><strong>-h, --help</strong></strong></dt> +<dd> +<p>Print this help message.</p> +</dd> +<dt><strong><strong>-k, --KeepOldRecords</strong> <em>yes | no</em></strong></dt> +<dd> +<p>Specify whether to transfer old non ATOM and HETATM records from input PDBFile(s) to new +PDBFile(s) during <em>Chains | Atoms | HetAtms | CAlphas | Distance| NonWater | NonHydrogens</em> +value of <strong>-m --mode</strong> option. By default, except for the HEADER record, all +other unnecessary non ATOM/HETATM records are dropped during the +generation of new PDB files. Possible values: <em>yes | no</em>. Default: <em>no</em>.</p> +</dd> +<dt><strong><strong>-m, --mode </strong> <em>Chains | Sequences | Atoms | CAlphas | AtomNums | AtomsRange | AtomNames | ResidueNums | ResiduesRange | ResidueNames | Distance | NonWater | NonHydrogens</em></strong></dt> +<dd> +<p>Specify what to extract from <em>PDBFile(s)</em>: <em>Chains</em> - retrieve records for +specified chains; <em>Sequences</em> - generate sequence files for specific chains; +<em>Atoms</em> - extract atom records; <em>CAlphas</em> - extract atom records for alpha +carbon atoms; <em>AtomNums</em> - extract atom records for specified atom numbers; +<em>AtomsRange</em> - extract atom records between specified atom number range; +<em>AtomNames</em> - extract atom records for specified atom names; <em>ResidueNums</em> +- extract records for specified residue numbers; <em>ResiduesRange</em> - extract records +for residues between specified residue number range; <em>ResidueNames</em> - extract +records for specified residue names; <em>Distance</em> - extract records with in a +certain distance from a specific position; <em>NonWater</em> - extract records corresponding +to residues other than water; <em>NonHydrogens</em> - extract non-hydrogen records.</p> +<p>Possible values: <em>Chains, Sequences Atoms, CAlphas, AtomNums, AtomsRange, +AtomNames, ResidueNums, ResiduesRange, ResidueNames, Distance, NonWater, +NonHydrogens</em>. Default value: <em>NonWater</em></p> +<p>During the generation of new PDB files, unnecessay CONECT records are dropped.</p> +<p>For <em>Chains</em> mode, data for appropriate chains specified by <strong>--c --chains</strong> option +is extracted from <em>PDBFile(s)</em> and placed into new PDB file(s).</p> +<p>For <em>Sequences</em> mode, residues names using various sequence related options are +extracted for chains specified by <strong>--c --chains</strong> option from <em>PDBFile(s)</em> and +FASTA sequence file(s) are generated.</p> +<p>For <em>Distance</em> mode, all ATOM/HETATM records with in a distance specified +by <strong>-d --distance</strong> option from a specific atom, residue or a point indicated by +<strong>--distancemode</strong> are extracted and placed into new PDB file(s).</p> +<p>For <em>NonWater</em> mode, non water ATOM/HETATM record lines, identified using value of +<strong>--WaterResidueNames</strong>, are extracted and written to new PDB file(s).</p> +<p>For <em>NonHydrogens</em> mode, ATOM/HETATOM record lines containing element symbol +other than <em>H</em> are extracted and written to new PDB file(s).</p> +<p>For all other options, appropriate ATOM/HETATM records are extracted to generate new +PDB file(s).</p> +<p><strong>--RecordMode</strong> option controls type of record lines to extract and process from +<em>PDBFile(s)</em>: ATOM, HETATM or both.</p> +</dd> +<dt><strong><strong>--ModifyHeader</strong> <em>yes | no</em></strong></dt> +<dd> +<p>Specify whether to modify HEADER record during the generation of new PDB files +for <strong>-m, --mode</strong> values of <em>Chains | Atoms | CAlphas | Distance</em>. Possible values: +<em>yes | no</em>. Default: <em>yes</em>. By default, Classification data is replaced by <em>Data extracted +using MayaChemTools</em> before writing out HEADER record.</p> +</dd> +<dt><strong><strong>--NonStandardKeep</strong> <em>yes | no</em></strong></dt> +<dd> +<p>Specify whether to include and convert non-standard three letter residue codes into +a code specified using <strong>--nonstandardcode</strong> option and include them into sequence file(s) +generated during <em>Sequences</em> value of <strong>-m, --mode</strong> option. Possible values: <em>yes | no</em>. +Default: <em>yes</em>.</p> +<p>A warning is also printed about the presence of non-standard residues. Any residue other +than standard 20 amino acids and 5 nucleic acid is considered non-standard; additionally, +HETATM residues in chains also tagged as non-standard.</p> +</dd> +<dt><strong><strong>--NonStandardCode</strong> <em>character</em></strong></dt> +<dd> +<p>A single character code to use for non-standard residues. Default: <em>X</em>. Possible values: +<em>?, -, or X</em>.</p> +</dd> +<dt><strong><strong>-o, --overwrite</strong></strong></dt> +<dd> +<p>Overwrite existing files.</p> +</dd> +<dt><strong><strong>-r, --root</strong> <em>rootname</em></strong></dt> +<dd> +<p>New PDB and sequence file name is generated using the root: <Root><Mode>.<Ext>. +Default new file name: <PDBFileName>Chain<ChainID>.pdb for <em>Chains</em> <strong>mode</strong>; +<PDBFileName>SequenceChain<ChainID>.fasta for <em>Sequences</em> <strong>mode</strong>; +<PDBFileName>DistanceBy<DistanceMode>.pdb for <em>Distance</em> <strong>-m, --mode</strong> +<PDBFileName><Mode>.pdb for <em>Atoms | CAlphas | NonWater | NonHydrogens</em> <strong>-m, --mode</strong> +values. This option is ignored for multiple input files.</p> +</dd> +<dt><strong><strong>--RecordMode</strong> <em>Atom | Hetatm | AtomAndHetatm</em></strong></dt> +<dd> +<p>Specify type of record lines to extract and process from <em>PDBFile(s)</em> during various +values of <strong>-m, --mode</strong> option: extract only ATOM record lines; extract only HETATM +record lines; extract both ATOM and HETATM lines. Possible values: <em>Atom | Hetatm +| AtomAndHetatm | XYZ</em>. Default during <em>Atoms, CAlphas, AtomNums, AtomsRange, +AtomNames</em> values of <strong>-m, --mode</strong> option: <em>Atom</em>; otherwise: <em>AtomAndHetatm</em>.</p> +<p>This option is ignored during <em>Chains, Sequences</em> values of <strong>-m, --mode</strong> option.</p> +</dd> +<dt><strong><strong>--Residues</strong> <em>"ResidueNum,[ResidueNum...]" | "StartResidueNum,EndResiduNum" | "ResidueName,[ResidueName...]"</em></strong></dt> +<dd> +<p>Specify which resiude records to extract from <em>PDBFiles(s)</em> during <em>ResidueNums</em>, +<em>ResiduesRange</em>,and <em>ResidueNames</em> value of <strong>-m, --mode</strong> option: extract records +corresponding to residue numbers specified in a comma delimited list of residue numbers/names, +or with in the range of start and end residue numbers. Possible values: <em>"ResidueNum[,ResidueNum,..]"</em>, +<em>StartResidueNum,EndResiduNum</em>, or <em><"ResidueName[,ResidueName,..]"</em>. Default: <em>None</em>. Examples:</p> +<div class="OptionsBox"> + 20 +<br/> 5,10 +<br/> TYR,SER,THR</div> +<p><strong>--RecordMode</strong> option controls type of record lines to extract from <em>PDBFile(s)</em>: +ATOM, HETATM or both.</p> +</dd> +<dt><strong><strong>--SequenceLength</strong> <em>number</em></strong></dt> +<dd> +<p>Maximum sequence length per line in sequence file(s). Default: <em>80</em>.</p> +</dd> +<dt><strong><strong>--SequenceRecords</strong> <em>Atom | SeqRes</em></strong></dt> +<dd> +<p>Specify which records to use for extracting residue names from <em>PDBFiles(s)</em> during +<em>Sequences</em> value of <strong>-m, --mode</strong> option: use ATOM records to compile a list +of residues in a chain or parse SEQRES record to get a list of residues. Possible values: +<em>Atom | SeqRes</em>. Default: <em>Atom</em>.</p> +</dd> +<dt><strong><strong>--SequenceIDPrefix</strong> <em>FileName | HeaderRecord | Automatic</em></strong></dt> +<dd> +<p>Specify how to generate a prefix for sequence IDs during <em>Sequences</em> value +of <strong>-m, --mode</strong> option: use input file name prefix; retrieve PDB ID from HEADER record; +or automatically decide the method for generating the prefix. The chain IDs are also +appended to the prefix. Possible values: <em>FileName | HeaderRecord | Automatic</em>. +Default: <em>Automatic</em></p> +</dd> +<dt><strong><strong>--WaterResidueNames</strong> <em>Automatic | "ResidueName,[ResidueName,...]"</em></strong></dt> +<dd> +<p>Identification of water residues during <em>NonWater</em> value of <strong>-m, --mode</strong> option. Possible values: +<em>Automatic | "ResidueName,[ResidueName,...]"</em>. Default: <em>Automatic</em> - corresponds +to "HOH,WAT,H20". You can also specify a different comma delimited list of residue names +to use for water.</p> +</dd> +<dt><strong><strong>-w, --WorkingDir</strong> <em>dirname</em></strong></dt> +<dd> +<p>Location of working directory. Default: current directory.</p> +</dd> +</dl> +<p> +</p> +<h2>EXAMPLES</h2> +<p>To extract non-water records from Sample2.pdb file and generate Sample2NonWater.pdb +file, type:</p> +<div class="ExampleBox"> + % ExtractFromPDBFiles.pl Sample2.pdb</div> +<p>To extract non-water records corresponding to only ATOM records from Sample2.pdb file +and generate Sample2NonWater.pdb file, type:</p> +<div class="ExampleBox"> + % ExtractFromPDBFiles.pl --RecordMode Atom Sample2.pdb</div> +<p>To extract non-water records from Sample2.pdb file using HOH or WAT residue name for water along +with all old non-coordinate records and generate Sample2NewNonWater.pdb file, type:</p> +<div class="ExampleBox"> + % ExtractFromPDBFiles.pl -m NonWater --WaterResidueNames "HOH,WAT" + -KeepOldRecords Yes -r Sample2New -o Sample2.pdb</div> +<p>To extract non-hydrogens records from Sample2.pdb file and generate Sample2NonHydrogen.pdb +file, type:</p> +<div class="ExampleBox"> + % ExtractFromPDBFiles.pl -m NonHydrogens Sample2.pdb</div> +<p>To extract data for first chain in Sample2.pdb and generate Sample2ChainA.pdb, type +file, type:</p> +<div class="ExampleBox"> + % ExtractFromPDBFiles.pl -m chains -o Sample2.pdb</div> +<p>To extract data for both chains in Sample2.pdb and generate Sample2ChainA.pdb and +Sample2ChainB.pdb, type:</p> +<div class="ExampleBox"> + % ExtractFromPDBFiles.pl -m chains -c All -o Sample2.pdb</div> +<p>To extract data for alpha carbons in Sample2.pdb and generate Sample2CAlphas.pdb, type:</p> +<div class="ExampleBox"> + % ExtractFromPDBFiles.pl -m CAlphas -o Sample2.pdb</div> +<p>To extract records for specific residue numbers in all chains from Sample2.pdb file and generate +Sample2ResidueNums.pdb file, type:</p> +<div class="ExampleBox"> + % ExtractFromPDBFiles.pl -m ResidueNums --Residues "3,6" + Sample2.pdb</div> +<p>To extract records for a specific range of residue number in all chains from Sample2.pdb +file and generate Sample2ResiduesRange.pdb file, type:</p> +<div class="ExampleBox"> + % ExtractFromPDBFiles.pl -m ResiduesRange --Residues "10,30" + Sample2.pdb</div> +<p>To extract data for all ATOM and HETATM records with in 10 angstrom of an atom specifed by +atom serial number and name "1,N" in Sample2.pdb file and generate Sample2DistanceByAtom.pdb, +type:</p> +<div class="ExampleBox"> + % ExtractFromPDBFiles.pl -m Distance --DistanceMode Atom + --DistanceOrigin "1,N" -k No --distance 10 -o Sample2.pdb</div> +<p>To extract data for all ATOM and HETATM records for complete residues with any atom or hetatm +less than 10 angstrom of an atom specifed by atom serial number and name "1,N" in Sample2.pdb +file and generate Sample2DistanceByAtom.pdb, type:</p> +<div class="ExampleBox"> + % ExtractFromPDBFiles.pl -m Distance --DistanceMode Atom + --DistanceOrigin "1,N" --DistanceSelectionMode ByResidue + -k No --distance 10 -o Sample2.pdb</div> +<p>To extract data for all ATOM and HETATM records with in 25 angstrom of an arbitrary point "0,0,0" +in Sample2.pdb file and generate Sample2DistanceByXYZ.pdb, type:</p> +<div class="ExampleBox"> + % ExtractFromPDBFiles.pl -m Distance --DistanceMode XYZ + --DistanceOrigin "0,0,0" -k No --distance 25 -o Sample2.pdb</div> +<p> +</p> +<h2>AUTHOR</h2> +<p><a href="mailto:msud@san.rr.com">Manish Sud</a></p> +<p> +</p> +<h2>SEE ALSO</h2> +<p><a href="./InfoPDBFiles.html">InfoPDBFiles.pl</a>, <a href="./ModifyPDBFiles.html">ModifyPDBFiles.pl</a> +</p> +<p> +</p> +<h2>COPYRIGHT</h2> +<p>Copyright (C) 2015 Manish Sud. All rights reserved.</p> +<p>This file is part of MayaChemTools.</p> +<p>MayaChemTools is free software; you can redistribute it and/or modify it under +the terms of the GNU Lesser General Public License as published by the Free +Software Foundation; either version 3 of the License, or (at your option) +any later version.</p> +<p> </p><p> </p><div class="DocNav"> +<table width="100%" border=0 cellpadding=0 cellspacing=2> +<tr align="left" valign="top"><td width="33%" align="left"><a href="./ExtendedConnectivityFingerprints.html" title="ExtendedConnectivityFingerprints.html">Previous</a> <a href="./index.html" title="Table of Contents">TOC</a> <a href="./ExtractFromSDFiles.html" title="ExtractFromSDFiles.html">Next</a></td><td width="34%" align="middle"><strong>March 29, 2015</strong></td><td width="33%" align="right"><strong>ExtractFromPDBFiles.pl</strong></td></tr> +</table> +</div> +<br /> +<center> +<img src="../../images/h2o2.png"> +</center> +</body> +</html>