I need a program that will do a least square coordinate fit (with rotation and
translations) between two protein structures or other smaller molecules and
calculate both the global coordinate rms value and the coor rms per residue.
The atom matching should allow some user defined possibilities. Like a
coordinate fit; on CA only, on all atoms (when comparing structures with
identical atoms) and on equvalent atom pairs that could be defined in an
I also would need a program that calculates the solvent accessibility for each
residue in a PDB file. If also the surface accessibility of cofactors could be
calculated it would be nice.
If anyone could give me some information about programs that can do these
things, I would be very grateful.
| Bengt Svensson Internet: bengt at tyto.cellbio.su.se |
| Dept. of Biochemistry |
| Arrhenius Laboratories tel +46-8-16 24 20 or +46-8-15 45 24 |
| Stockholm University fax +46-8-15 36 79 |
| S-106 91 STOCKHOLM, SWEDEN |