Hi Zheng I think, it's much easier to go this way: Coot -> Extensions -> NCS -> Copy NCS Chain or Copy NCS Residue Range
Cheers Stefan -----Ursprüngliche Nachricht----- Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Zheng Zhou Gesendet: Montag, 28. Februar 2011 12:13 An: CCP4BB@JISCMAIL.AC.UK Betreff: Re: [ccp4bb] coot Hi, Stefanie Are those 6 molecules related by NCS? If so, you can model one first, and use transform_coords_molecule (imol, rtop) to generate others. I used to do this five times for a pentamer: output_pdb='template' for i in range (2,6): transform_coords_molecule (1, [[x1, y1, z1, x2, y2, z2, x3, y3, z3], [a, b, c]]) filename=output_pdb+str(i)+'.pdb' save_coordinates (1, filename) I think you can write all the the tranformation matrix out instead of the loop if they differ significantly. Others may have more experience. Best, Joe On Mon, Feb 28, 2011 at 6:32 PM, FREITAG-POHL S. <stefanie.freitag-p...@durham.ac.uk> wrote: > Hello everybody, > > Currently I am refining my 6 x 220 amino acid structure and I was > wondering if COOT is automatically writing a kind of protocol what I > am changing in my pdb file when I am fitting-in new residues or mutate > amino acids. If so where can I find it? > > Thanks a lot, > > Stefanie > > Dr. Stefanie Freitag-Pohl > Durham University > Chemistry Dept > South Road > Durham. DH1 3LE > Tel: 0191 3342143 > Email: stefanie.freitag-p...@durham.ac.uk > > >
