On Thu, Sep 29, 2011, Rajeswari A. wrote:
>
> I created Chirality restraints file using makeCHIR_RST code in Amber. In
> amber manual there is a line "Note that you may have to edit the output of
> this program to change trans peptide constraints to cis, as appropriate."
> Is this note is for proline?
Yes: if you know you have a cis-proline, you certainly don't want to have a
trans restraint. If you don't know whether your proline is cis or trans, you
probably don't want to have any restraint. In either case, you need to
hand-edit the output of makeCHIR_RST to do what you want (e.g. delete some of
the restraints.)
...dac
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Received on Thu Sep 29 2011 - 06:00:03 PDT
