pdb2cif1

Usage

Overview

This tools attempts to write out the contents of a PDB file in mmCIF format.

The conversion of a PDB file into mmCIF format is not trivial. The numbering schemes differ and in some cases it is even necessary to do a sequence alignment to recover correct sequence numbers.

When CCP4 is installed and sourced correctly, this tool will use the information in the CCP4 monomers library to guide the construction of a correct mmCIF file. In the absence of CCP4 a best effort is done.

Options

If no output file is given, the result is printed to /fIstdout. Both input and output files can be compressed.

--dict=<file>

Specify a dictionary file containing restraints for residues specific to this file.

--validate

Validate the file before writing the output.

--verbose,-V

Be more verbose, useful to diagnose validation errors.