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Re: Heteratom problems, message 1


Massages longer then 400 lines are bounced, to prevent long pdb files
filling up archives and digest forms of the list.


> I've been trying for days to make a proper model of my large (1058
> residue) membrane protein, PMCA. It needs to contain a calcium ion, but
> I can't get modeller to put it in. I'm sorry the attached files are so
> big, but it's a big molecule.
> I'm sending this as 2 messages, zipped up using Winzip; If I try to put
> it in a single message, it bounces, and I think all of these files are
> needed to diagnose the problem. I'm trying to model PMCA based on the
> only known homolog 1EUL. 1EUL contains 2 calcium ions, and I expect the
> PMCA version to contain only one of them, as indicated in the alignment
> file. No matter what I try, the PMCA file produced has the calcium
> removed. The file I have renamed as PMCA E1.pdb is the final file
> produced in the attempt enclosed here and described in the log file. I
> did this one using an MS-DOS box under Windows 98, but the same kinds of
> errors occur in Windows 2000. Thanks for your attention.
> John Penniston

Bozidar Yerkovich, PhD
Rockefeller University
New York, NY, 10021, USA