コード例 #1
0
        #            singleCoreOperation

        extraArgList = (str(cing.verbosity), inputDir, outputDir, '.', '.',
                        ARCHIVE_TYPE_BY_CH23_BY_ENTRY, PROJECT_TYPE_CING,
                        storeCING2db, CV_RANGES_STR, filterTopViolations,
                        filterVasco, singleCoreOperation)

        if doScriptOnEntryList(
                pythonScriptFileName,
                entryListFileName,
                self.results_dir,
                processes_max=self.processes_max,
                delay_between_submitting_jobs=
                5,  # why is this so long? because of time outs at tang?
                max_time_to_wait=self.max_time_to_wait,
                start_entry_id=0,
                max_entries_todo=self.max_entries_todo,
                extraArgList=extraArgList):
            nTerror("Failed to doScriptOnEntryList")
            return True
        # end if

    # end def


# end class.

if __name__ == '__main__':
    max_entries_todo = 290  # DEFAULT: 10
    runNrgCing(useClass=NmrRedo, max_entries_todo=max_entries_todo)
コード例 #2
0
ファイル: nmr_redo.py プロジェクト: VuisterLab/cing
        filterVasco =           '0'
        singleCoreOperation =   '1'
        # Tune this to:
#            verbosity         inputDir             outputDir
#            pdbConvention     restraintsConvention archiveType         projectType
#            storeCING2db      ranges               filterTopViolations filterVasco
#            singleCoreOperation

        extraArgList = ( str(cing.verbosity), inputDir, outputDir,
                         '.', '.', ARCHIVE_TYPE_BY_CH23_BY_ENTRY, PROJECT_TYPE_CING,
                         storeCING2db, CV_RANGES_STR, filterTopViolations, filterVasco, singleCoreOperation)

        if doScriptOnEntryList(pythonScriptFileName,
                            entryListFileName,
                            self.results_dir,
                            processes_max = self.processes_max,
                            delay_between_submitting_jobs = 5, # why is this so long? because of time outs at tang?
                            max_time_to_wait = self.max_time_to_wait,
                            start_entry_id = 0,
                            max_entries_todo = self.max_entries_todo,                            
                            extraArgList=extraArgList):
            nTerror("Failed to doScriptOnEntryList")
            return True
        # end if
    # end def        
# end class.

if __name__ == '__main__':
    max_entries_todo = 290 # DEFAULT: 10
    runNrgCing( useClass = NmrRedo, max_entries_todo = max_entries_todo )
コード例 #3
0
ファイル: recoord.py プロジェクト: jakesyl/cing
        if 1:
            nTmessage("Going to use specific entry_list_todo in prepare")
            #            self.entry_list_done = readLinesFromFile('/Library/WebServer/Documents/NRG-CING/list/entry_list_recoord_nrgcing_shuffled.csv')
            m = NrgCingRdb(schema=self.schema_id)
            self.entry_list_done = m.getPdbIdList(fromCing=True)
            self.entry_list_done = NTlist(*self.entry_list_done)
        if 0:
            self.entry_list_todo.clear()
            # Random set of 10 from RECOORD still present in PDB.
            #            self.entry_list_todo += "1mmc 1ks0 1b4r 1nxi 1eww 1hp3 1iox 2u2f 1kjs 1orx".split()
            self.entry_list_todo += "1brv".split()
        if 0:  # DEFAULT: 0
            nTmessage("Going to use specific entry_list_todo in prepare")
            self.entry_list_todo = readLinesFromFile(
                "/Library/WebServer/Documents/NRG-CING/list/entry_list_recoord_nrgcing_shuffled.csv"
            )
            self.entry_list_todo = NTlist(*self.entry_list_todo)

    # end def
    def setPossibleEntryList(self):  # pylint: disable=W0221
        pass

    # end def


# end class.

if __name__ == "__main__":
    max_entries_todo = 10  # DEFAULT: 10
    runNrgCing(useClass=Recoord, max_entries_todo=max_entries_todo)
コード例 #4
0
        if 1:
            nTmessage("Going to use specific entry_list_todo in prepare")
            #            self.entry_list_done = readLinesFromFile('/Library/WebServer/Documents/NRG-CING/list/entry_list_recoord_nrgcing_shuffled.csv')
            m = NrgCingRdb(schema=self.schema_id)
            self.entry_list_done = m.getPdbIdList(fromCing=True)
            self.entry_list_done = NTlist(*self.entry_list_done)
        if 0:
            self.entry_list_todo.clear()
            # Random set of 10 from RECOORD still present in PDB.
            #            self.entry_list_todo += "1mmc 1ks0 1b4r 1nxi 1eww 1hp3 1iox 2u2f 1kjs 1orx".split()
            self.entry_list_todo += "1brv".split()
        if 0:  # DEFAULT: 0
            nTmessage("Going to use specific entry_list_todo in prepare")
            self.entry_list_todo = readLinesFromFile(
                '/Library/WebServer/Documents/NRG-CING/list/entry_list_recoord_nrgcing_shuffled.csv'
            )
            self.entry_list_todo = NTlist(*self.entry_list_todo)

    # end def
    def setPossibleEntryList(self):  # pylint: disable=W0221
        pass

    # end def


# end class.

if __name__ == '__main__':
    max_entries_todo = 10  # DEFAULT: 10
    runNrgCing(useClass=Recoord, max_entries_todo=max_entries_todo)