Package schrodinger :: Package application :: Package macromodel :: Module utils
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Module utils

Utilities for writing MacroModel com, sbc, and hst (native input) files.

Copyright Schrodinger, LLC. All rights reserved.

Classes [hide private]
  ComUtil
A class for writing MacroModel com files.
  ComUtilAppSci
Subclass of ComUtil with defaults that are closer to the current Maestro version.
  ComUtil_2010
This class will be deprecated in the next release.
  SbcUtil
A class for writing substructure/constraint files to accompany jobname.com.
  CluUtil
A class for writing and running Cluster clu files.
Functions [hide private]
 
write_hst_file(com_file, host_list)
Returns the name of the jobname.hst file written specifically for the passed com file.
Variables [hide private]
  _version = '$Revision: 1.32.2.1 $'
  __package__ = 'schrodinger.application.macromodel'
Function Details [hide private]

write_hst_file(com_file, host_list)

 

Returns the name of the jobname.hst file written specifically for the passed com file. jobname.com -> jobname.hst. host_list is a list of hostentry name strings, the attributes are looked up by jobcontrol.get_host(). If schrodinger.job.jobcontrol can't be imported it returns an empty string. These file are typically only used for NPRC distributed bmin jobs.