Florian Schmitzberger wrote:
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).
Can I try it?
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.
Yup, you can, but you have to 'run and edit com file'.
ncs-operator alpha,beta,gamma,x,y,z,x,y,z
First set of x,y,z are the centre of mass of the source molecule, second
are the target molecule. This info is provided by recent versions of
professs.
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