AMBER Archive (2008)

Subject: Re: AMBER: xleap (draw using edit)

From: Taufik Al-Sarraj (taufik.alsarraj_at_utoronto.ca)
Date: Thu May 08 2008 - 15:58:24 CDT

Thank you David,
i read one of your other replies and i will work on TUTORIAL B4 to get
familiar with Antechamber first.

once again thank you,
Taufik

David A. Case wrote:
> On Wed, May 07, 2008, Taufik Al-Sarraj wrote:
>
>> i would like to draw Sulfo-SMCC (Sulfosuccinimidyl
>> 4-[N-maleimidomethyl]cyclohexane-1-carboxylate)
>>
>> I am using AMBER9, it is easy to create a molecule SMCC and draw it
>> using edit. but i don't know the atom types (e.g. CT, OS, NC, CB, etc)
>> where can i get those definitions so i can set the atom types using
>> -edit-edit selected atoms.
>>
>> i hope i am on the right track.
>>
>> I cannot save the molecule without setting the atom type.
>
> My suggestion:
> Save the molecule as pdb, and use antechamber to assign the atoms types.
>
> ...dac
>
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