schrodinger.application.desmond.cmdline module

Helper functions for dealing with desmond/multisim commandline.

schrodinger.application.desmond.cmdline.get_job_command_in_startup()

Return a job launching command suitable for printing in a log file. Munges common desmond applications (multisim, watermap, fep_plus) to generate a friendlier commandline.

Parameters

application_name (str) – full application name ($SCHRODINGER/utilities/multisim or $SCHRODINGER/watermap)

Return type

str

schrodinger.application.desmond.cmdline.get_b64encoded_str(string)

Encodes a string as base64 and returns a str, suitable for passing on a commandline.

Parameters

string (str) – string to be encoded

Return type

str

schrodinger.application.desmond.cmdline.get_b64decoded_str(encoded_str)

Decodes a base64 string and returns as str.