it has docs here: http://parmed.github.io/ParmEd/html/index.html
Hai
On Fri, May 5, 2017 at 3:46 PM, Andrea Spitaleri
<andrea.spitaleri.iit.it> wrote:
> Thanks Jason!
>
> very helpful! I have been looking for a detailed parmed's syntax manual
> but I could not find it. Do you have any?
>
> best
>
> and
>
>
> On 05/05/2017 20:31, Jason Swails wrote:
>>
>>
>>> On May 5, 2017, at 3:38 AM, Andrea Spitaleri <andrea.spitaleri.iit.it> wrote:
>>>
>>> 2. using parmed to get the aforementioned dihedral angles:
>>>
>>> (.O.C.N.H)&:1|:2
>>>
>>> give me back several results. How can I get *only" the info on O-C-N-H?
>> The printDihedrals command takes anywhere between 1 and 4 separate masks. So if you want just the info on O-C-N-H, use this command:
>>
>> printDihedrals .O .C .N .H
>>
>> If you want it just for residues 1 and 2, change that to
>>
>> printDihedrals :1-2.O :1-2.C :1-2.N :1-2.H
>>
>> HTH,
>> Jason
>>
>> --
>> Jason Swails
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>
> --
> Andrea Spitaleri PhD
> Computational mOdelling of NanosCalE and bioPhysical sysTems - CONCEPT Lab
> ISTITUTO ITALIANO DI TECNOLOGIA
> Via Morego 30, 16163 - Genova, Italy
> https://iit.it/research/lines/computational-modelling-of-nanoscale-and-biophysical-systems
> cell: +39 3485188790
> https://iit.it/andrea-spitaleri
> ORCID: http://orcid.org/0000-0003-3012-3557
>
>
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Received on Fri May 05 2017 - 13:30:02 PDT
