[BiO BB] Energy minimazation program
MAG at Stowers-Institute.org
Tue Feb 28 15:51:36 EST 2006
I have a simple problem, I hope someone can advice.
I needed to make a covalent bond between a sugar molecule and an
>(aa-COOH + sugar-OH --> H2O + aa-sugar).
I had them in a single pdb file and managed to generate a pdb file with
a covalent bond, but the geometry of this resulting molecule is very
I now need to optimize this geometry and I think that energy
minimization shouwl be able to take care of that.
I have previously used insightII for this energy minimization but do not
access to it anymore.
Is there any software avaibale (free for academic use) that should be
able to do this.
I did a google search and find quite a few but cannot decide which one
to start with, because each would have a learning curve.
Please suggest something that you think is more popular/optimal.
Thanks for any help.
Stowers Institute for Medical Research
1000 E 50th St.
Kansas city, 64110
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