pdb2cif (Bernstein et al., 1998) is a script to filter a PDB entry and produce an mmCIF.
If you wish to install and use this software you should download the most up-to-date version from the above Web site. The links below are to copies which are suitable for browsing or for use if the Web site is not available. However, they may be out of date and lack the full functionality of the latest version.
- compressed C-shell archive (pdb2cif.cshar.Z)
- compressed shell archive (pdb2cif.shar.Z)
- individual source files
This is version 2.4.2 of 6 October 2004.
Language and platform
The scripts are written in perl, awk or old-awk and should run on any common operating system that supports perl or has suitable versions of awk. On some systems, one may need to use gawk instead of awk. pdb2cif.awk uses features which are not found in the original Aho, Kernighan & Weinberger Awk - a pattern scanning and processing language, but which have since been added on most systems: functions and the call to 'system'.
- Installation: Copy the selected archive (pdb2cif.cshar.Z or pdb2cif.shar.Z - only one is required) into an empty directory. In this directory, uncompress the selected archive and execute it with the C or Bourne shell as appropriate.
cp pdb2cif.shar.Z /x/y/baseSelect the script suitable for running under the interpreter of choice and make it executable. On most Unix systems, this can be done by executing one of the following sets of commands, depending on whether you want the perl, awk, or old-awk version to be pdb2cif:
chmod 755 pdb2cif.pl
ln -s pdb2cif.pl pdb2cif
chmod 755 pdb2cif.oawk
ln -s pdb2cif.oawk pdb2cif
chmod 755 pdb2cif.awk
ln -s pdb2cif.awk pdb2cif
- General information: README file (HTML format)
Terms and conditions of use
Copyright in the software © the authors.
Authors: P. E. Bourne, H. J. Bernstein & F. C. Bernstein
Bernstein, H. J., Bernstein, F. C. & Bourne, P. E. (1998). CIF applications. VIII. pdb2cif: translating PDB entries into mmCIF format. J. Appl. Cryst. 31, 282-295. Software available from http://www.bernstein-plus-sons.com/software/pdb2cif.