Yes for sure,
it's a quite new program so feel free to ask questions if there are some.
Regards.
Peter
On 23/08/2010, at 19:20, Ganesh Kamath wrote:
> Thanks Peter! Never seen this program. Will look into it. Could I ask
> you questions if I have some issues.
>
> regards,
> ganesh
>
> On Mon, Aug 23, 2010 at 1:15 PM, Peter Schmidtke
> <pschmidtke.mmb.pcb.ub.es> wrote:
>> Hi,
>>
>> try to have a look at mdpocket from the fpocket suite. This should do what you want. Have a closer look to the documentation at fpocket.sourceforge.net
>>
>> Regards.
>>
>> Peter Schmidtke
>>
>> -----------------
>> PhD Student
>> Department of Physical Chemistry
>> School of Pharmacy
>> University of Barcelona
>> Barcelona, Spain
>>
>>
>> On 23/08/2010, at 18:30, Ganesh Kamath wrote:
>>
>>> Hi All,
>>>
>>> Is there a way to calculate the pore volume of a protein. I have a
>>> trajectory and wish to compute the volume of
>>> the active site as a function of time.
>>> Could anyone please suggest a way.
>>>
>>> thanks for all the help.
>>>
>>> regards,
>>> ganesh
>>>
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
Peter Schmidtke
-----------------
PhD Student
Department of Physical Chemistry
School of Pharmacy
University of Barcelona
Barcelona, Spain
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Aug 24 2010 - 03:30:03 PDT
