[phenixbb] 1.5.2 and validation
mcollins at convex.hhmi.columbia.edu
Fri Oct 23 06:47:56 PDT 2009
I just installed 1.5.2 and tried it out for a few hours this afternoon. Is it
possible to run the phenix programs from the command line without being forced
to launch the shiney new gui?
I have 3 structures I had considered finished by R/Rfree and Molprobity. I was
playing around with polygons (great way to quickly assess the structure) and
found that 2 of the 3 strucutres are "bad" with very low RMSDs for bonds,
angles, chirality, dihedrals and planarity. All were refined with phenix 1.3,
but they are all fairly small ~80-90 residues. So do I need to go back and
revisit these, advice much appreciated?
Also I found that I can edit the validate_0.eff (from phenix/project_data/ )
and run the file from the command line. But is there a way to actually change
keys_to_show and fiters for polygon in the gui?
Also it seems that the *twinned crashed the validation when run this way (bug
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