Hello
I fixed the spacing problem in the pdb file. Now, xplo2d recognizes
arsenic but it still does not give it it's parameters. It says:
! NONBonded ASX1 0.0 0.00 0.00 0.00 ! >>> WARNING - No data for Arsenic;
set yourself
This is the same sentence that the parameter file in HIC-UP says. I was
wondering if someone has any idea where to find these values. I searched
the internet with all kinds of search terms but couldn't figure out the
values.
Thanks in advance for any suggestions,
Sangeetha.
L. Sangeetha Vedula
Graduate Student
Roy & Diana Vagelos Laboratories
Department of Chemistry
Penn
231S 34th St
Phone 215-89(8-2227)
Fax 215-573-2112
email id: at the top of this email :-)
On Tue, 13 Apr 2004, Gerard DVD Kleywegt wrote:
> > As. xplo2d does not recognize As. It assumes an As atom is a C instead.
>> it shouldn't, provided the "AS" is in the correct columns of the atom name
> (e.g., "AS " rather than " AS ")
>> --gerard
>> ******************************************************************
> Gerard J. Kleywegt
> [Research Fellow of the Royal Swedish Academy of Sciences]
> Dept. of Cell & Molecular Biology University of Uppsala
> Biomedical Centre Box 596
> SE-751 24 Uppsala SWEDEN
>>http://xray.bmc.uu.se/gerard/ mailto:gerard at xray.bmc.uu.se> ******************************************************************
> The opinions in this message are fictional. Any similarity
> to actual opinions, living or dead, is purely coincidental.
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>>>
