Re: Software for molecular electrostatic calculations

From: Rabeta Yeasmin (rabetayeasmin_at_gmail.com)
Date: Wed Aug 09 2017 - 16:44:01 CDT

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
>

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