mstk.forcefield.Zff

class mstk.forcefield.Zff(*files)

Parse ForceField from ZFF file.

ZFF is the default plain text force field format in mstk. Comparing to ZFP, ZFF is more human-friendly but less program-friendly.

Several files can be read at one time. Only one ForceField object will be created and it will contain force field terms from all of the files. If there are duplicated terms, only the first term will be kept. The force field settings will be read from the first file.

Parameters:

files (list of str) –

forcefield
Type:

ForceField

Methods

__init__(*files)

save_to(ff, file)

Save ForceField to a ZFF file
static save_to(ff, file)

Save ForceField to a ZFF file

Parameters: