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)