Module mapper_msj_generator

Classes

[hide private]

MapperMsjGenerator

ProteinMapperMsjGenerator

Variables

[hide private]

MMSHARE_DIR = '/nfs/builds/objects/OB/2015-1/Linux-x86_64/buil...

DESMOND_DATA_DIR = '/nfs/builds/objects/OB/2015-1/Linux-x86_64...

ENSEMBLE = {'NPT': 'desmond_npt_fep.msj', 'NVT': 'desmond_nvt_...

MMFFLD_VERSION = 16

MSJ_SOLVENT_TEMPLATE = '\nextern {\n command = "\nimport os\...

__package__ = 'schrodinger.application.desmond'

Variables Details

[hide private]

MMSHARE_DIR

Value:

'/nfs/builds/objects/OB/2015-1/Linux-x86_64/build08/mmshare-v2.9'

DESMOND_DATA_DIR

Value:

'/nfs/builds/objects/OB/2015-1/Linux-x86_64/build08/mmshare-v2.9/data/
desmond'

ENSEMBLE

Value:

{'NPT': 'desmond_npt_fep.msj', 'NVT': 'desmond_nvt_fep.msj'}

MSJ_SOLVENT_TEMPLATE

Value:

'''
extern {
   command = "
import os
import copy
import schrodinger.application.desmond.cmj   as cmj
import schrodinger.application.desmond.struc as struc
import schrodinger.application.desmond.util  as util
...