Synopsis

ImportCIF [-hV] [--ca] [--fl] [--sc] [--bt=0.2] [--name=<sgName>] [--sg=-1] [--zp=-1] files…​

Description

Convert a CIF file to PDB/XYZ format.

Options

--bt, --bondTolerance=0.2

Tolerance added to covalent radius to determine if atoms should be bonded.

--ca, --cifAppend

Append structures.

--fl, --fixLattice

Override CIF parameters to satisfy lattice conditions (Otherwise error).

-h, --help

Print command help and exit.

--name, --spaceGroupName=<sgName>

Override the CIF space group.

--sc, --saveCIF

Attempt to save file in CIF format (input(s) in XYZ format).

--sg, --spaceGroupNumber=-1

Override the CIF space group.

-V, --version

Print the Force Field X version and exit.

--zp, --zPrime=-1

Specify Z' when writing a CIF file.

Arguments

files…​

A CIF file and a PDB or XYZ file (already parameterized) containing one of each molecule from the CIF.