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2016-4 Schrodinger Python API
Package schrodinger
::
Package application
::
Package desmond
::
Module rest_inp
:: Class RestInput
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Class RestInput
Instance Methods
[
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]
__init__
(
self
,
model
,
**kwargs
)
update
(
self
,
**kwargs
)
updates states of options
prepare_structure
(
self
)
Set hot region
prepare_msj
(
self
)
Prepare multisim file
prepare_command
(
self
,
jobname
,
host
,
msj_fname
,
mae_fname
)
Prepare command line
write
(
self
,
jobname
,
host
)
writes msj and mae files
run
(
self
,
jobname
,
host
)
Run MD REST Job
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2016-4 Schrodinger Python API
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