use of the file find_ncs.resolve
Hi all, I do not understand how the file "find_ncs.resolve" has to be fed into the "resolve" part of Phenix. Can it be used in the GUI for an autobuild procedure? Can anyone help on this? Ta very much in advance, F. Vellieux -- F.M.D. Vellieux (B.Sc., Ph.D., hdr) IBS / ELMA 41 rue Jules Horowitz 38027 Grenoble Cedex 01 France Tel: +33 438789605 Fax: +33 438785494
Hi Fred, I don't think that there is a way to use find_ncs.resolve....however instead yes you can input find_ncs.ncs_spec, a file that should have been written at the same time as find_ncs.resolve. This file contains all the ncs information and should be recognized by the autobuild gui. I hope that helps! All the best, Tom T ________________________________________ From: [email protected] [[email protected]] on behalf of Fred. Vellieux [[email protected]] Sent: Tuesday, August 07, 2012 5:33 AM To: [email protected] Subject: [phenixbb] use of the file find_ncs.resolve Hi all, I do not understand how the file "find_ncs.resolve" has to be fed into the "resolve" part of Phenix. Can it be used in the GUI for an autobuild procedure? Can anyone help on this? Ta very much in advance, F. Vellieux -- F.M.D. Vellieux (B.Sc., Ph.D., hdr) IBS / ELMA 41 rue Jules Horowitz 38027 Grenoble Cedex 01 France Tel: +33 438789605 Fax: +33 438785494 _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
BS"D Dear All, A user here wants to use resolve in phenix to find a ligand in a very large system. During the run resolve complains: Sorry, need to make n_map_big at least 43200000 This can be done by using a bigger version of resolve *************************************************** Sorry, this version does not seem big enough... (Current value of isizeit is 36) You might try increasing "isizeit" by using a bigger version (giant/huge) You might try cutting back the resolution You might try "coarse_grid" to reduce memory You might try "unlimit" allow full use of memory *************************************************** We couldn't identify any way to increase n_map_big or isizeit, or access any other versions of resolve within phenix. We would appreciate some suggestions (the machine in question has 18GB of memory, so I don't think that is an issue). Thanks Harry ------------------------------------------------------------------------- Harry M. Greenblatt Associate Staff Scientist Dept of Structural Biology [email protected]mailto:[email protected] Weizmann Institute of Science Phone: 972-8-934-3625 234 Herzl St. Facsimile: 972-8-934-4159 Rehovot, 76100 Israel
participants (3)
-
Fred. Vellieux -
Harry Mark Greenblatt -
Terwilliger, Thomas C