vermouth.processors.cif_reader module

Provides a processor that reads a CIF file.

See also

vermouth.pdb.cif

class vermouth.processors.cif_reader.CIFInput(filename, exclude=(), ignh=False, modelidx=0)

Bases: Processor

Reads CIF files.

filename

The filename to parse.

Type:

str

exclude

A collection of residue names that should not be parsed and excluded from the final molecule(s)

Type:

collections.abc.Container[str]

ignh

If True, hydrogens will be discarded from the input structure.

Type:

bool

modelidx

If the cif file contains multiple models, which one to select.

Type:

int

See also

read_cif_file()

run_system(system)