From: Muhittin Emre Özdemir (muhittinozdemir_at_gmail.com)
Date: Thu May 11 2006 - 02:43:17 CDT
For the same problem about the bond between Heme iron and Cysteine S; there
is no parameter for a FE S bond in parameters file. The closest thing I
found is FE SS bond for heme - methylthiolate link, bond for FE SS. Is
there anyway to create these parameters or if you know of the parameters,
please let me know.
Thanks, in advance, for your help...
On 5/10/06, Muhittin Emre Özdemir <muhittinozdemir_at_gmail.com> wrote:
> Hi again,
> Thank you very much for all the help.
> There was no patch for a cyc-heme link, so I managed to modify the
> his-heme link patch. This is actually just like the one Sergio sent. And in
> my previous simulation (which is useless, but still had a point) I saw the
> heme group and FE had no planarity. So i used the FHEM patch.
> Everything looks good for the moment. Again, thanks alot for the help...
> Muhittin Emre Özdemir
> Graduate Student & Teaching Assistant
> College of Engineering, Room: 210
> Koc Univesity
> Rumeli Feneri Yolu
> 34450 Sariyer, Istanbul, Turkey
> Tel: +90 (212) 338-2648
> Fax: +90 (212) 338-1548
> E-mail: muhozdemir_at_ku.edu.tr<http://ims/w?OR.DCU.Zt3yeuw.EBOEw.CIslhR.Lfirstname.lastname@example.org>
> http://home.ku.edu.tr/~muhozdemir/ <http://home.ku.edu.tr/%7Emuhozdemir/>
-- Muhittin Emre Özdemir Graduate Student & Teaching Assistant College of Engineering, Room: 210 Koc Univesity Rumeli Feneri Yolu 34450 Sariyer, Istanbul, Turkey Tel: +90 (212) 338-2648 Fax: +90 (212) 338-1548 E-mail: muhozdemir_at_ku.edu.tr http://home.ku.edu.tr/~muhozdemir/
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