VMD-L Mailing List
From: mishacat_at_udm.ru
Date: Tue Sep 09 2008 - 01:30:05 CDT
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Hi everyone!
I need to generate a large quantity of the same molecules.
I used this script:
set segname A
for {set segid 0} {$segid < 999} {incr segid} {
set pdb $prefix.pdb
set seg $segname$segid
segment $seg {
pdb $pdb
}
coordpdb $pdb $seg
}
but segid cannot be larger than 999. The question is: how to organize "for" cycle from "A" to "Z"?
Any other approaches of generating large quantity of molecules are welcome.
-- Sincerely yours, Mikhail Suyetin -- Инфинити-450 512Кбит/сек за 450 рублей!!! Новый прорыв в Ижевске!!! http://izhevsk.net/html/price.html
- Next message: John Stone: "Re: solvating a water molecule"
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