[phenixbb] bigger version of resolve?

Harry Mark Greenblatt harry.greenblatt at weizmann.ac.il
Tue Jan 29 01:55:53 PST 2013


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).




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


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