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2016-3 Schrodinger Python API
Package schrodinger
::
Package application
::
Package pldb
::
Package packages
::
Package pldbclient
:: Module upload_fep_trj
[
hide private
]
[
frames
] |
no frames
]
Module upload_fep_trj
Functions
[
hide private
]
_parse_args
()
_ensure_files
(
cmsfile
,
trj_dir
,
trj_tar
)
_create_trj_tar
(
trj_dir
,
trj_tar
)
main
()
_get_pkl_entry
(
api
,
code
)
We are going to attach the trajectories underneath the pkl entry.
_create_empty_edge_entry
(
api
,
parent_structure_id
,
ligand1
,
ligand2
)
_upload_lambda
(
api
,
prefix
,
code
,
pipeline
,
parent_structure_id
)
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2016-3 Schrodinger Python API
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