This module implements the terminal commands
¶ subpackages
¶ submodules
¶ functions
¶ converter
This function converts the format of coordinate file
| parameters |
explanation |
| args |
arguments from argparse |
¶ maskgen
This function uses VMD to generate mask
| parameters |
explanation |
| args |
arguments from argparse |
¶ exgen
This function reads the SPONGE input files for bonded interactions and generate a exclude file
| parameters |
explanation |
| args |
arguments from argparse |
¶ name2name
This function change the atom names from one file to another file
| parameters |
explanation |
| args |
arguments from argparse |
¶ mol2rfe
This function helps with the relative free energy calculation
| parameters |
explanation |
| args |
arguments from argparse |
¶ mm_gbsa
This function helps with the MM/GBSA calculation
| parameters |
explanation |
| args |
arguments from argparse |
