LSQKAB will do that - see Coordinate utilities.
You can either match ATOM 7 to 9
MATCH ATOM 17 to 19
etc etc - laborious
Or ask MATCH RESIDUE 22 to 31
to Residue 42 to 51
OUTP RMS XYZ
It makes a huge list to RMSTAB of all distances..
Eleanor
Jan Lowe wrote:
Risking a potentially trivial question:
Is there a program that will calculate the RMS of distances
between specified (listed) atoms in two different structures?
As far as I could see, LSQMAN will only compute same with same?
Calculate RMSD of M1 A20 A30 A40 A50
And M2 A20 A30 A41 A50
Atom types | CA |
B-factor range used: -1000.00 - 10000.00 A2
Nr of atoms to match : ( 3)
Nr skipped (B limits) : ( 0)
Many thanks,
jan
------------------------------------------------------------------------------
Jan Lowe email: [EMAIL PROTECTED]
Laboratory of Molecular Biology phone: +44 (0)1223 252969
Medical Research Council fax : +44 (0)1223 213556
Hills Road
Cambridge CB2 2QH
UK WWW: http://www2.mrc-lmb.cam.ac.uk/groups/JYL/index.html
------------------------------------------------------------------------------
