NAME¶

cif-merge - Merge the content of a modified PDB file into a mmCIF file

SYNOPSIS¶

cif-merge [OPTION] inputFile donorFile

DESCRIPTION¶

Unfortunately, a lot of tools in the crystallographic area are still not capable of working with mmCIF files in a proper way, forcing you to feed them PDB files. Or, when they do support mmCIF, they write out mutilated files without lots of the original information contained in the input file.

To remedy this, cif-merge can be used to create a new mmCIF file containing information from the processed PDB (or mmCIF) file and fill in the blanks using a donor mmCIF file.

OPTIONS¶

--input=<file>, -i <file>

The file that was processed by an old tool, missing the additional data.

--donor=<file>

The donor file, containing the extra information.

--output=<file>, -o <file>

Write output to the specified <file>, default is to write to stdout.

--dict=<file>

Dictionary file containing restraints for residues in the processed file.

--verbose,-v

Be more verbose, useful to diagnose validation errors.

AUTHOR¶

Written by Maarten L. Hekkelman <maarten@hekkelman.com>

REPORTING BUGS¶

Report bugs at https://github.com/PDB-REDO/cif-tools/issues

SEE ALSO¶

cif-diff, cif-drop, cif-grep, cif-validate, cif2pdb, mmCQL, pdb2cif.