cns2fsfour.com
[software] INT2FOBS.COM
[Top] [Crystallography] [Molecular Biology] [Protein Structure] [Journals] [Software]





Converts a SCALEPACK file to an XtalView .fin file, CNS reflection file, a SHELX intensity file, and/or a CCP4 .mtz file. Can now (v4.0) add a consistent Rfree set across all of these files.




script requirements  
 

int2fobs.com is a csh script that actually takes advantage of four CCP4 programs:

  • f2mtz
  • truncate
  • mtz2various
  • cad




script availability  
 

int2fobs.com is available for use in combinations with various distributions of CCP4. Note that the later distributions typically have better options, etc. and I'm not going to be updating the script that's compatible with CCP4 version 3.2.





int2fobs.com usage  
 

The parameters in the first part of the file need to be modified to point to the proper input and output files. Space group and cell information is taken from the SCALEPACK header; however, one can overwrite it with variables set in the beginning of the file (see the comments there).





a final word  
 

As always, I've only extensively tested this program against many of the things that I do regularly so there are potentially a number of bugs that are creeping about. I've written the program to be very robust so that it should survive even fairly pathological cases, but I've only checked a finite number of these. If you run into any problems, feel free to e-mail me and depending on the problem (and my schedule) I might crack open the code and fix them.

Praise and requests for options that would be useful are also welcome.







Christopher Putnam, Ph.D.
cdputnam@scripps.edu
The Scripps Research Institute
Last Updated: 03/18/02