[phenixbb] "standard" monomer restraints

wtempel wtempel at gmail.com
Wed Jan 10 14:57:32 PST 2018


$CCP4/lib

On Wed, Jan 10, 2018 at 5:53 PM, Pavel Afonine <pafonine at lbl.gov> wrote:

>
> ideal O3'-C3' bond in *geo is 1.422, which interestingly matches C3*-O3*
>> in `modules/chem_data/geostd/t/data_TD.cif`.
>>
>
> This is expected. I would be worried if they didn't match. So, 1.422 is
> what actually used.
>
> `elbow.where_is_that_cif_file DT` pointed me to
>> `${CLIB}/data/monomers/d/DT.cif`, where O3'-C3' is (now, but may be not
>> at time of *geo generation) 1.431.
>>
>
> What is ${CLIB} ? I'm wondering because Phenix distribution does not have
> "data/monomers" folders (if I remember correctly).
>
> Pavel
>
>
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