Meanwhile, you can use `pytraj.compute` to use cpptraj's raw command
https://github.com/Amber-MD/pytraj/blob/04efe3db13b8b6c59adb13a4f16d7aac310066d4/pytraj/analysis/c_action/actionlist.pyx#L76
pytraj.compute("distance :2 :3 image [some commands]", traj)
Hai
On Mon, Feb 25, 2019 at 11:36 AM Hai Nguyen <nhai.qn.gmail.com> wrote:
> hi,
>
> I will try to address this issue this week.
>
> > - If not, I don’t mind adding it. I would just appreciate a little
> guidance to get started so that I can find the few modules I need to modify
> and follow as best the code’s philosophy.
>
> For the future development, you can read the (outdated) developer guide
> here: https://amber-md.github.io/pytraj/latest/developer_guide.html
> But you can always open a new issue about "HOW" question in here:
> https://github.com/Amber-MD/pytraj/issues
>
> cheers.
> Hai
>
> On Mon, Feb 25, 2019 at 10:54 AM Antoine MARION <amarion.metu.edu.tr>
> wrote:
>
>> Dear Amber Community,
>>
>> I finally decided to port some of my scripts to pytraj (v2.0.3) and
>> judging from my early trials I feel like it is going to be very powerful.
>> However, I faced a first little issue when calculating distances with
>> PBCs: i.e., minimum image is not applied and the “image” option seems to be
>> ignored.
>>
>> A quick look in the code lead me to a TODO regarding this feature, so
>> here are my questions:
>>
>> - I am sure that you are all very busy, but is there any chance that this
>> feature will be added in the near future?
>>
>> - If not, I don’t mind adding it. I would just appreciate a little
>> guidance to get started so that I can find the few modules I need to modify
>> and follow as best the code’s philosophy.
>>
>> Thanks in advance.
>>
>> All the best,
>> Antoine
>>
>> ____________________________
>> -- Dr. Antoine MARION
>> Assistant Professor
>> Doktor Öğretim Üyesi
>>
>> Department of Chemistry
>> Middle East Technical University
>> 06800, Ankara, Turkey
>>
>> Office: O-310
>> Email: amarion.metu.edu.tr <mailto:amarion.metu.edu.tr>
>> Phone: +90 312 210 51 44
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
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Received on Mon Feb 25 2019 - 11:30:03 PST
