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Re: [modeller_usage] Including a Thioester linkage

Ok, stupid question found it on the manual:

"Define the new residue entry in the residue topology file (RTF), say 'top_heav.lib'. "


João [ .. ] Rodrigues

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On Wed, Nov 4, 2009 at 8:57 PM, João Rodrigues <">> wrote:
Thanks for the tip Joel.

I think I found what I need: here

I did a small search in the modlib folder and I couldn't find anything like this so I assume I'll have to add it myself. Any idea how I load this topology to my script?


I’m guessing a patch residue will be what you need. Unfortunately Idon’t know how to write them. Check out the manual for a patch.





Joel Tyndall, PhD

Senior Lecturer in Medicinal Chemistry
National School of Pharmacy
University of Otago
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