VMD-L Mailing List

From: Ronald Salesky (rsalesky_at_unm.edu)
Date: Thu Apr 15 2010 - 16:06:56 CDT

Hello all,

I am attempting to have TCL variable arguments within a
matrix w/o success. For example

set beta 45
set pi 3.14159
set rbeta [expr $beta * $pi / 180.0]
set roty {{[expr cos($rbeta)] 0.0 [expr -sin($rbeta)] 0.0}
{0.0 1.0 0.0 0.0} {[expr sin($rbeta)] 0.0 [expr
cos($rbeta)] 0.0} {0.0 0.0 0.0 0.0}}
set r [coordtrans $roty {$x $y $z}]

which results in the message:

"vectrans: poorly formed matrix" when attempting to run in
the VMD Tkconsole. Is there a way to do this? Or is it not
possible because vectors and matrices are VMD extensions
to TCL?

Thank you,

Ron