[phenixbb] bigger version of resolve?
Harry Mark Greenblatt
harry.greenblatt at weizmann.ac.il
Tue Jan 29 01:55:53 PST 2013
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 harry.greenblatt at weizmann.ac.il<mailto:harry.greenblatt at weizmann.ac.il>
Weizmann Institute of Science Phone: 972-8-934-3625
234 Herzl St. Facsimile: 972-8-934-4159
Rehovot, 76100
Israel
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