Is there a way to calculate COM for a tunnel?
On Thu, Jan 26, 2017 at 10:14 PM, Hitesh Patel <hiteshpatel...@gmail.com>
wrote:
> Hi,
>
> For your 2nd question:
> You can make pseudoatom at Center of mass or center of geometry (for an
> object or probably selection too) using the following script:
> https://pymolwiki.org/index.php/Center_of_mass
>
> In your case you mat try:
>
> import center_of_mass
>
> com SelectionObjectName, state=1#Create a pseudoatom representing the Object
> COG and store it as "SelectionObjectName_COM"
>
>
>
> On Thu, Jan 26, 2017 at 4:52 AM kanika sharma <ksharma...@gmail.com>
> wrote:
>
>> Dear PyMol Users,
>>
>> I am struggling here two things.
>> 1). I want to place a pseudoatom in the charge centre of a non aromatic
>> residue, like arginine.
>> 2). Is it possible to place another pseudoatom in the centre of a cavity
>> in the protein? I am thinking how can I define the co ordinates of the
>> position where I wan t to place the pseudoatom?
>>
>> Thanks
>>
>> --
>> *Best,*
>>
>> *Kanika*
>>
>>
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>
> --
> Regards,
>
> Dr. Hitesh Patel
> Post-Doctoral Fellow,
> CADD Group,
> Building 376, Room: 205A
> Chemical Biology laboratory,
> Center for Cancer Research,
> National Cancer Institute,
> Frederick, MD-21702
>
> Work: +1 301 846 5993 <+1%20301-846-5993>
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>
--
*Best,*
*Kanika Sharma*
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