[COOT] NCS edits in COOT
I have a very large complex of proteins and I would like to use COOT to apply NCS edits in the case where the “master copy” is not chain A of my complex but any given chain. The script that I currently use (example only, actual number of molecules is much larger) (copy-residue-range-from-ncs-master-to-chains 0 A 1 500 (list B C D E)) works only for A but for this I need to temporarily rename molecules, making any molecule I wish to be master also to be A. It is O.K. to do this renaming once or twice, but not convenient if the extensive rebuilding of the complex is considered. Q1. Is there currently a possibility to use a different chain as the master for the NCS edits in COOT? Q2. If so, could someone please let me know how? Q3. If not, would it be possible to program this into Coot for the future for complicated cases? Q4. Is there another option, not COOT? Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407 Cellular: 0547 459 608
Re: [COOT] PISA and COOT
On 06/11/13 14:50, Oliver Clarke wrote: Hi all, I would quite like to try out the PISA interface in COOT, but it complains that I require a newer version than 1.06. I have the version distributed with CCP4 6.4.0, which I believe is 1.18, and I am running the nightly coot build (r4818) on a Mac (OS X 10.9). Any thoughts? Hello Oliver, Sorry for the delay. pisa, for some reason, has changed the way it reports the version. Here is a work-around, put it in $HOME/.coot-preferences/pisa-hack.scm Regards, Paul. pisa-hack.scm Description: Lotus Screencam
Re: [COOT] NCS edits in COOT
On 18/11/13 13:26, Felix Frolow wrote: I have a very large complex of proteins and I would like to use COOT to apply NCS edits in the case where the “master copy” is not chain A of my complex but any given chain. The script that I currently use (example only, actual number of molecules is much larger) (copy-residue-range-from-ncs-master-to-chains 0 A 1 500 (list B C D E)) works only for A but for this I need to temporarily rename molecules, making any molecule I wish to be master also to be A. It is O.K. to do this renaming once or twice, but not convenient if the extensive rebuilding of the complex is considered. I see what you mean. Yes, this is awkward. *Q1. Is there currently a possibility to use a different chain as the master for the NCS edits in COOT? * *No. It is an oversight. Sorry. * *Q2. If so, could someone please let me know how? * *- * *Q3. If not, would it be possible to program this into Coot for the future for complicated cases? * *Yes, indeed. This bug/problem/oversight needs to be fixed. Ihave made a note. * *Q4. Is there another option, not COOT?* *I think that something in Phenix can do it. * *Paul. *
