[ccp4bb]: Metals in PROTIN

[Joao Barbosa <joao@bri.nrc.ca>]

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Hi,

Thanks for all those who replied. Proposed solutions for adding zinc to
the refinement:

1. Use refmac5 instead of older version. It has a "built-in-protin".
2. For the unfortunate ones whose system administrators are too busy to
keep up with new versions, you have to use IUM as the residue name in
the PDB file. Here are some examples:
ATOM   2781 ZN2+ IUM X 479      21.563  25.541  16.304  1.00 41.89  27
ATOM    830 ZN+2 IUM Z   1  1   -0.002  -0.004   7.891  0.33 10.40
ATOM   2960 ZN   IUM D   1       6.935  15.945 -23.394  0.70 38.19  30

For the record, I think it would be nice if the residue name IUM
appeared in the manual pages:

1. RWBROOK: (CCP4: Library) page:
Under topic "7.STANDARD RESIDUE NAMES", add "Ions (elements)   IUM"

2. PROTIN page:
Under "INPUT AND OUTPUT FILES - DICTPROTN", add "Ions (elements)   IUM"

Thanks again, joao.