VMD-L Mailing List

From: Pavan Ghatty (pavan.vmd_at_gmail.com)
Date: Wed Feb 20 2008 - 10:22:03 CST

Hello All,
Why wont the following selection work in VMD? I want to look at water
molecules whose x>min_x of the protein. I will then add further constraints
to the box.
I typed
expr [lindex [lindex [measure minmax [atomselect top protein]] 0] 0] in the
TCL console and got say, -23.22
I then typed
water and x> expr -23 {I could have used x>-23} in the graphical
representations and that worked fine. So expr -23 returns a number and not a
string.
But neither,
water and x> expr [lindex [lindex [measure minmax [atomselect top protein]]
0] 0]
nor
water and x> [lindex [lindex [measure minmax [atomselect top protein]] 0] 0]
nor
water and x> lindex [lindex [measure minmax [atomselect top protein]] 0] 0

worked. Could you please help me out with this or suggest an alternative?

Thanks!
Pavan