Hi
I thank everybody for their nice suggestions. I am happy that my doubts are
clear now.
Kahkashan
On Wed, Aug 22, 2018 at 5:51 AM, Ian Tickle wrote:
>
> Hi
>
> I agree with Pavel. Last time I checked the validation didn't take
> account of Calpha - H ... O or N hydrogen bonds (also
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Hi
I agree with Pavel. Last time I checked the validation didn't take account
of Calpha - H ... O or N hydrogen bonds (also involving other polarised C
atoms), even though these are well-documented.
Cheers
-- Ian
On Wed, 22 Aug 2018 at 10:42, Pavel Afonine wrote:
> Hi,
>
> also, it helps
Hi,
also, it helps to keep in mind that some clashes may actually be valid
interactions that are labeled as 'clashes' by validation software that is
simply not sophisticated enough to distinguish between bad steric clashes
and chemically/physically favorable valid interactions. For an example,
Kate,
under linux environment my pdb_extract_sf from the CCP4 installation
doesn’t work from command line due to the next error:
Error, can not get file(data_template.cif). Please set PDB_EXTRACT
environment
I had created PDB_EXTRACT and pointed it to CCP4 home folder (actual sh
command in
