Coor rms, residue accessibility

Bengt Svensson bengt at tyto.cellbio.su.se
Mon Jun 19 11:19:15 EST 1995


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 
external file. 

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. 
	
	BengtS

-- 

 |~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~|
 |   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                                               |
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