Tom -- what you recommended seemed to work -- phenix.solve doesn't crash out any more, and I'm just trying to see if I get a solution using autosol with my new dataset. Again, thanks and I'll let you know if I find any further problems. Alex -- Dr. Alex Singer C.H. Best Institute 112 College St. Room 70 University of Toronto Toronto, Canada, M5G 1L6 416-978-4033
Hi, I am working with a protein that has many ligands; I need a density map in the "MTZ" format without ligands. Is there a way to do this? Thanks a lot, Esmael
Hi Esmael, remove the ligand from PDB file or set occupancy of the ligand to zero and use phenix.maps to compute any number of desired maps. To use phenix.maps: - from the command line type phenix.maps and hit Enter, then follow the instructions on the screen; - from PHENIX GUI use Maps -> Create Maps. Pavel. On 7/8/10 12:25 PM, esmael wrote:
Hi,
I am working with a protein that has many ligands; I need a density map in the "MTZ" format without ligands. Is there a way to do this?
Thanks a lot, Esmael
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Hi Esmael,
You can do that with a script file like this to remove density near
coords.pdb from the map in mymap.mtz
#!/bin/csh -f
phenix.resolve< Hi, I am working with a protein that has many ligands; I need a density
map in the "MTZ" format without ligands. Is there a way to do this? Thanks a lot,
Esmael _______________________________________________
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http://phenix-online.org/mailman/listinfo/phenixbb Thomas C. Terwilliger
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participants (4)
-
alexander.singer＠utoronto.ca -
esmael -
Pavel Afonine -
Tom Terwilliger