Module input

A class for reading and writing Prime simplified input files.

Classes

[hide private]

Prime
Class for reading and writing simplified Prime input files.

Variables

[hide private]

spec_str = '\nPRIME_TYPE = option(\'SIDE_PRED\', \'L...

prime_specs = ['', 'PRIME_TYPE = option(\'SIDE_PRED\...

__package__ = 'schrodinger.application.prime'

line = ''

Variables Details

[hide private]

spec_str

Value:

'''
PRIME_TYPE           = option(\'SIDE_PRED\', \'LOOP_BLD\', \'REAL_MIN\
', \'SITE_OPT\', \'ENERGY\')
THREADS              = integer()
MAX_JOBS             = integer()
NUM_OUTPUT_STRUCT    = integer()
ECUTOFF              = float()
STRUCT_FILE          = string()
...

prime_specs

Value:

['',
 'PRIME_TYPE           = option(\'SIDE_PRED\', \'LOOP_BLD\', \'REAL_MI
N\', \'SITE_OPT\', \'ENERGY\')',
 'THREADS              = integer()',
 'MAX_JOBS             = integer()',
 'NUM_OUTPUT_STRUCT    = integer()',
 'ECUTOFF              = float()',
 'STRUCT_FILE          = string()',
...