Dear all,
I want to do the following: I want to download several structures from PDB-REDO and pipe them into Refmac5 for re-refinement, replacing the restraints dictionary of a certain ligand with a customized one. The refinement settings I want to keep otherwise unchanged. We are talking about a few hundred structures here, so I prefer to do this via a shell script.
Are the Refmac5 settings that PDB-REDO used for redoing the deposited structures to be found somewhere? For my own structures, I get a *.refmac file that I can directly pipe into Refmac5. However, I didn't find such a file for the deposited structures. Is there a way to get my hands on it?
Thanks in advance & best wishes, Joern -- ************************************************* Address: Joern Krausze Braunschweig University of Technology Institute of Plant Biology Spielmannstr. 7 38106 Braunschweig Germany Email: j.krau...@tu-braunschweig.de Phone: +49 (0)531 3915858 ************************************************* ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
