Changeset 2840 for trunk/GSASIIstrIO.py


Ignore:
Timestamp:
May 27, 2017 11:20:45 AM (4 years ago)
Author:
vondreele
Message:

fix PDB importer & reimport atoms
rework RB GUI - now shows just one residue at a time & structure plot follows selection
also RB parameter changes show on structure drawing
add protein validator - not complete
remove commented out dead code from GSAIIgrid
fix bug if cancel of macro restraints selection

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIstrIO.py

    r2770 r2840  
    14561456        for name,rest in names:
    14571457            itemRest = phaseRest[name]
    1458             if itemRest[rest] and itemRest['Use']:
     1458            if rest in itemRest and itemRest[rest] and itemRest['Use']:
    14591459                print >>pFile,'\n  %s %10.3f Use: %s'%(name+' restraint weight factor',itemRest['wtFactor'],str(itemRest['Use']))
    14601460                if name in ['Bond','Angle','Plane','Chiral']:
Note: See TracChangeset for help on using the changeset viewer.