Wednesday, 15 October 2008

Convert pdb to sdf or mol2

Found the excellent set of utilities yesterday called Open Babel.

The utility babel is a command line program that allows you to easily switch between chemical file formats. There is a GUI which I tried on my mac but couldn't get to work. However, the command line program is so easy to use that I don't really care!

3 comments:

  1. hey i am Dhaval naik and m trying to introduce Post translational modification(acetylation) to a Lysine residue in my pdb file.i have tried using Discovery studios,pymol.I am able to modify the residue and save the structure.But again when i reopen my modified protein file i am unable to see (C=0) modification of acetylation introduced earlier.Please help.

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  2. open ur structure in Rasmol..

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  3. Thanks and that i have a dandy present: Whole House Remodel Cost whole home renovation

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