[phenixbb] can phenix.refine create a diff of the current input file with the pdb from the last run before refining?

[Francis E Reyes]

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?) )


F

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Francis Reyes M.Sc.
215 UCB
University of Colorado at Boulder

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