Read in the enzymes file.
/* ############################################################################## # file: config_quantitation.java # # 'msparser' toolkit # # Test harness / example code # ############################################################################## # COPYRIGHT NOTICE # # Copyright 1998-2003 Matrix Science Limited All Rights Reserved. # # # ############################################################################## # $Archive:: /MowseBranches/ms_mascotresfile_1.2/test_java/test_searchi $ # # $Author: villek@matrixscience.com $ # # $Date: 2018-07-30 16:23:53 +0100 $ # # $Revision: 1b450440f9c97e1e41d0fc6016a27d68951d4532 | MSPARSER_REL_2_8_1-0-gea32989045 $ # # $NoKeywords:: $ # ############################################################################## */ import java.util.Date; import matrix_science.msparser.*; public class config_enzymes { static { try { System.loadLibrary("msparserj"); } catch (UnsatisfiedLinkError e) { System.err.println("Native code library failed to load. " + "Is msparserj.dll on the path?\n" + e); System.exit(0); } } public static void main(String argv[]) { // ----- Object creation ----- if(argv.length < 1) { System.out.println("The location of enzymes file has to be specified as a parameter"); System.out.println("The location should either be the full path to the enzymes file"); System.out.println("or a URL to a Mascot server - e.g. http://mascot-server/mascot/cgi"); System.exit(0); } // A sessionID can optionally be passed as the second parameter // This will only be required if the 'file' is a URL ms_enzymefile file; if (argv.length > 1) { ms_connection_settings cs = new ms_connection_settings(); cs.setSessionID(argv[1]); file = new ms_enzymefile(argv[0], cs); } else { file = new ms_enzymefile(argv[0]); } if (!file.isValid()) { System.out.println("Error number: "+file.getLastError()); System.out.println("Error string: "+file.getLastErrorString()); System.exit(0); } // how many do we have in total? int n = file.getNumberOfEnzymes(); System.out.println("There are " + n + " enzymes definitions available"); //now get them all! for (int i=0; i < n ; i++) { ms_enzyme enzyme = file.getEnzymeByNumber(i); System.out.print(enzyme.getTitle() + ": "); for (int c=0; c < enzyme.getNumberOfCutters(); c++) { if (enzyme.getCutterType(c) == ms_enzyme.NTERM_CUTTER) { System.out.print("nTerm - "); } else { System.out.print("cTerm - "); } System.out.print(enzyme.getCleave(c) + "!"); System.out.print(enzyme.getRestrict(c)); System.out.print("; "); } System.out.println(""); } // Now try updating the first one in the list to semi-specific ms_enzyme enzyme = file.getEnzymeByNumber(0); enzyme.setSemiSpecific(true); file.updateEnzymeByNumber(0, enzyme); // And delete V8-DE file.deleteEnzymeByName("V8-DE"); // Finally, save the file under a new name file.setFileName(argv[0] + ".new"); file.save_file(); System.out.println("There are now " + file.getNumberOfEnzymes() + " enzymes definitions available"); } } /* will give the output: C:>java -classpath .;../java/msparser.jar config_enzymes enzymes There are 19 enzymes definitions available Trypsin: cTerm - KR!P; Arg-C: cTerm - R!P; Asp-N: nTerm - BD!; Asp-N_ambic: nTerm - DE!; Chymotrypsin: cTerm - FLWY!P; CNBr: cTerm - M!; CNBr+Trypsin: cTerm - M!; cTerm - KR!P; Formic_acid: cTerm - D!; Lys-C: cTerm - K!P; Lys-C/P: cTerm - K!; PepsinA: cTerm - FL!; Tryp-CNBr: cTerm - KMR!P; TrypChymo: cTerm - FKLRWY!P; Trypsin/P: cTerm - KR!; V8-DE: cTerm - BDEZ!P; V8-E: cTerm - EZ!P; semiTrypsin: cTerm - KR!P; LysC+AspN: nTerm - BD!; cTerm - K!P; None: cTerm - KR!P; There are now 18 enzymes definitions available */
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