John,

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

Thanks, Bozidar

> 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