Hi,
I found that there is routine to force Pro to cis conformation -> cispeptide() Is there a routine to force Pro from cis to trans conformation? Thanks. Best,
tomek
On 09/24/2013 09:59 AM, Tomek Wlodarski wrote: > I found that there is routine to force Pro to cis conformation -> cispeptide() > Is there a routine to force Pro from cis to trans conformation?
If you don't do anything, Pro will come out in trans conformation.
Ben Webb, Modeller Caretaker
Yes, I know. But my template has Pro in cis conformation and in my model I would like to have this Pro in trans. When I do nothing I end up with structure with Pro in cis. Thanks, Best
tomek
On Tue, Sep 24, 2013 at 6:00 PM, Modeller Caretaker modeller-care@salilab.org wrote: > On 09/24/2013 09:59 AM, Tomek Wlodarski wrote: >> >> I found that there is routine to force Pro to cis conformation -> >> cispeptide() >> Is there a routine to force Pro from cis to trans conformation? > > > If you don't do anything, Pro will come out in trans conformation. > > Ben Webb, Modeller Caretaker > -- > modeller-care@salilab.org http://www.salilab.org/modeller/ > Modeller mail list: https://salilab.org/mailman/listinfo/modeller_usage
On 09/24/2013 10:51 AM, Tomek Wlodarski wrote: > But my template has Pro in cis conformation and in my model I would > like to have this Pro in trans.
The restraints are already set up that way.
> When I do nothing I end up with structure with Pro in cis.
In that case the restraint must be violated. You can certainly add an additional restraint to try and force a trans conformation if you like.
Ben Webb, Modeller Caretaker
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Modeller Caretaker -
Tomek Wlodarski