Re: Software for molecular electrostatic calculations

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Thu Aug 10 2017 - 08:15:28 CDT

Please read the doc from the APBS website.

On Wed, Aug 9, 2017 at 5:44 PM, Rabeta Yeasmin <rabetayeasmin_at_gmail.com>
wrote:

> Dear Mr. Fiorin,
>
> Thanks very much for your correction. I am wondering how can I use APBS.
> Do I need to install it or I can use web server of it?
>
> Regards
> Rabeta Yeasmin
>
> On Wed, Aug 9, 2017 at 2:16 PM, Giacomo Fiorin <giacomo.fiorin_at_gmail.com>
> wrote:
>
>> There are several, but of those I tried APBS has the cleanest user
>> interface in my opinion. Note that the electrostatic potential will only
>> measure unscreened charges, but not the hydrophobic effect:
>> https://en.wikipedia.org/wiki/Hydrophobic_effect
>> because it is not due only to electrostatics.
>>
>> Giacomo
>>
>> On Wed, Aug 9, 2017 at 2:03 PM, Rabeta Yeasmin <rabetayeasmin_at_gmail.com>
>> wrote:
>>
>>> Dear NAMD Users,
>>>
>>> I want to calculate molecular electrostatic potential and create a
>>> electrostatic map showing hydrophobic and hydrophilic part. I believe APBS
>>> is one of the software which can do this. I am wondering if anyone can
>>> suggest me any other software like APBS. I have searched on line and found
>>> some like Delphi Tools, UHBD, PBEQ solver, Avagadro and Jmol. I am not sure
>>> if they can perform the same thing as APBS. If anyone is familiar which
>>> these tools, please give me some idea and suggestions.
>>>
>>> Thanks.
>>>
>>> Regrads
>>> Rabeta Yeasmin
>>>
>>
>>
>>
>> --
>> Giacomo Fiorin
>> Associate Professor of Research, Temple University, Philadelphia, PA
>> Contractor, National Institutes of Health, Bethesda, MD
>> http://goo.gl/Q3TBQU
>> https://github.com/giacomofiorin
>>
>
>

-- 
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD
http://goo.gl/Q3TBQU
https://github.com/giacomofiorin

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