[phenixbb] can phenix.refine create a diff of the current input file with the pdb from the last run before refining?
PAfonine at lbl.gov
Wed Apr 21 06:10:11 PDT 2010
you have your two PDB files: before and after phenix.refine run. So in
case you did not like the refinement outcome you always have your input
PDB file, the one you fed into phenix.refine. I'm not sure what exactly
you mean by "--revert"... Could you please explain in more details?
On 4/21/10 6:02 AM, Francis E Reyes wrote:
> Hi all,
> Just a feature request that phenix.refine make a diff comparing the current input file with the pdb from the last run and then doing a refinement on the input file and then allow a phenix.refine --revert to allow the user to backtrack incase the refinement isn't suitable.
> Right now I edit the pdb, save it as xxxx_001-input.pdb and specify xxxx_001-input.pdb as the input file in xxxx_002.def.
> (Yes I'm using the command line, does the GUI allow this? (i.e. right click on a refinement run then click revert?) )
> Francis Reyes M.Sc.
> 215 UCB
> University of Colorado at Boulder
> gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D
> 8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D
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