Re: [ccp4bb] ncs operator confusion...

2010-12-02 Thread Eleanor Dodson
Easiest to follow the documentation.. http://www.ccp4.ac.uk/dist/html/dm_ncs_averaging.html You get the matrices most easily by mapping A to B A to C etc using lsqkab if you want to average over the A molecule.. Eleanor On 12/01/2010 05:41 PM, Francis E Reyes wrote: Hi all I'm trying to f

Re: [ccp4bb] ncs operator confusion...

2010-12-01 Thread Francis E Reyes
Oops It pays to view the pdbset log as it gives the right matrix. F On Dec 1, 2010, at 10:41 AM, Francis E Reyes wrote: Hi all I'm trying to figure out rotation matricies for ncs averaging in DM. Except the conventions have got me confused. The following input script for pdbset correctl

[ccp4bb] ncs operator confusion...

2010-12-01 Thread Francis E Reyes
Hi all I'm trying to figure out rotation matricies for ncs averaging in DM. Except the conventions have got me confused. The following input script for pdbset correctly maps monomer A to monomer B. rotate - invert - -0.4654 -0.0974 -0.8797 - 0.8789 -0.1689 -0.4462 - -0.10