Dear All,
I am encountering a problem when using Parrot (for combined density
modification and non crystallographic symmetry (NCS) averaging) in
ccp4 6.1.13, run via ccp4i.
Parrot does not detect the (2-fold) NCS present among my heavy atom
substructure with 20 seleniums (the pdb was output by Phaser-EP,
single chain ID, and is read by Parrot from what I can tell). I have
tried a to split the NCS related heavy atoms into separate chains, but
Parrot does still not appear to detect any NCS (error message:
WARNING: No NCS found from heavy atoms).
The Professs program seems to detect the NCS readily. Unfortunately, I
don't think it is possible to input externally determined NCS
operators into Parrot.
Regards,
Florian
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Florian Schmitzberger
Biological Chemistry and Molecular Pharmacology
Harvard Medical School
250 Longwood Avenue, SGM 130
Boston, MA 02115, US
Tel: 001 617 432 5602
