Ignore:
Timestamp:
Jan 27, 2018 8:49:12 AM (4 years ago)
Author:
vondreele
Message:

fix problem with incommensurate magnetic structures from CIFhklReader
make "Edit Body" as "Edit Residue Body" in RB menu
change protein validation bar plots to be vertical
change 'twin' to 'flag' in Reflection List table & add '-2' as 'free' (for proteins - not yet implemented)
fix PDB phase import to get atom type from 76:78 of ATOM record
change importer names for single crystal TOF data to be more explicit (SNS vs ISIS)
change cif structure factor importer - F2, sig(F2) & Fcalc now allowed

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/exports/G2export_PDB.py

    r3200 r3245  
    185185                        atom[ct-2].strip(),atom[ct-4].rjust(4),xyz[0],xyz[1],xyz[2],atom[cx+3], \
    186186                        Biso,atom[ct].rjust(12)))
     187                #if atim[cia] == 'a':
     188                #   put in 'ANISOU' record
     189                #'ANISOU    1  N   ALA A 340     4392   4159   4615    249   -189     73       N' 
    187190                iatom += 1
    188191           
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