Talk:Cealign

Q

I tried to reproduce the example of 1COM and 1BCO with version 0.8-RBS (cealign 1com and chain b, 1bco), but the RMSD I got was around 5.97 A. Does the capability get worse or did I do something wrong?

A

You did something wrong. Try 1c0m ('0' number zero, not letter 'o'). I get 152 residues aligned to 4.95 Ang. Tree

Requests?

I'm building Cealign to plug natively into PyMOL. That is, if you can build PyMOL, you'll have cealign right along with it. Let me know if there are any other requests for it.

Wow, the new cealign code is even faster. Get everything done in C++ and it flies. Shouldn't be surprised.

Tree 14:53, 11 March 2008 (CDT)

Q

Well I cant find your email address :-)

Tried to use cealign on a windows XP system, pymol 1.0r2

error message:

File "c:\program files\pymol/modules\pymol\parser.py", line 456, in parse

    exec(layer.com2+"\n",self.pymol_names,self.pymol_names)

File "<string>", line 1

   cealign mol1, mol2
                       ^

syntax error: invalid syntax

I tried various names etc. Is it my installation at fault? I got this with both 0.8 and 0.9b