pestifer.psfutil.psfpatch module¶

Classes for handling patches declared in REMARK lines in PSF files generated by psfgen

class pestifer.psfutil.psfpatch.PSFDISUPatch(pl: list[str])[source]¶

A class representing a disulfide bond patch in a PSF file.

Parameters:

pl (list[str]) –

A list of strings representing the disulfide bond patch, typically in the format:

['segid1:resid1', 'segid2:resid2']

class pestifer.psfutil.psfpatch.PSFLinkPatch(pl: list[str])[source]¶

A class representing a link patch in a PSF file.

Parameters:

pl (list[str]) –

A list of strings representing the link patch, typically in the format:

['linkname', 'segid1:resid1', 'segid2:resid2'].