def runAbunch(): #1hkt 4046 not in NRG #2rop many errors; what remained? #Good: 1brv 1cjg 1d3z 1ieh # OK (only 1 chain done) 1cjg 1hue 2jmx 1iv6 2kib # cp $CINGROOT/Tests/data/ccpn/$x.tgz . # scp -r nmr:/Library/WebServer/Documents/NRG-CING/recoordSync/$x $D/NRG-CING/recoordSync # scp -r nmr:/Users/jd/wattosTestingPlatform/bmrb/ftp.bmrb.wisc.edu/pub/bmrb/entry_directories/bmr$y . _comboList = ''' 1brv 4020 1cjg 4813 1d3z 6457 1hue 4047 1ieh 4969 1iv6 5317 2rop 11041 2jmx 15072 2kz0 16995 2kib 20074 '''.split() comboList = ''' 2kib 20074 '''.split() comboListCount = len(comboList) / 2 for i in range(comboListCount): idxX = i * 2 idxY = idxX + 1 x = comboList[idxX] y = comboList[idxY] try: status = annotateEntry(x, y) except: nTtracebackError() status = True finally: nTmessage(getStopMessage(cing.starttime)) if status: nTerror("Failed to annotateEntry for arguments: %s" % str(sys.argv))
def runAbunch(): #1hkt 4046 not in NRG #2rop many errors; what remained? #Good: 1brv 1cjg 1d3z 1ieh # OK (only 1 chain done) 1cjg 1hue 2jmx 1iv6 2kib # cp $CINGROOT/Tests/data/ccpn/$x.tgz . # scp -r nmr:/Library/WebServer/Documents/NRG-CING/recoordSync/$x $D/NRG-CING/recoordSync # scp -r nmr:/Users/jd/wattosTestingPlatform/bmrb/ftp.bmrb.wisc.edu/pub/bmrb/entry_directories/bmr$y . _comboList = ''' 1brv 4020 1cjg 4813 1d3z 6457 1hue 4047 1ieh 4969 1iv6 5317 2rop 11041 2jmx 15072 2kz0 16995 2kib 20074 '''.split() comboList = ''' 2kib 20074 '''.split() comboListCount = len(comboList)/2 for i in range(comboListCount): idxX = i*2 idxY = idxX + 1 x = comboList[idxX] y = comboList[idxY] try: status = annotateEntry(x,y) except: nTtracebackError() status = True finally: nTmessage(getStopMessage(cing.starttime)) if status: nTerror("Failed to annotateEntry for arguments: %s" % str( sys.argv))
else: nTmessage("Failed to find structureEnsemble; skipping swapCheck") else: nTmessage("Failed to find nmrConstraintStore; skipping swapCheck") # constraintsHandler.swapCheck(nmrConstraintStore, structureEnsemble, numSwapCheckRuns) if doSaveProject: # nTmessage('Checking validity and saving to new path') nTmessage('Saving to new path: %s' % entryCodeNew) # checkValid=True, saveProject(ccpnProject, newPath=entryCodeNew, removeExisting=True) if doExport: tarPath = os.path.join(entryDir, entryCodeNew + ".tgz") if os.path.exists(tarPath): nTmessage("Overwriting: " + tarPath) myTar = tarfile.open(tarPath, mode='w:gz') # overwrites myTar.add(entryCodeNew) myTar.close() if guiRoot: guiRoot.destroy() # end def if __name__ == "__main__": cing.verbosity = cing.verbosityDebug try: status = annotateEntry(*sys.argv[1:]) except: nTtracebackError() finally: nTmessage(getStopMessage(cing.starttime))