VMD-L Mailing List
From: Anna Amat (aamatalb_at_hotmail.com)
Date: Wed May 25 2011 - 11:15:11 CDT
- Next message: Anna Amat: "surface of an atomic property"
- Previous message: John Stone: "Re: trying to combine closewater.tcl with bigdcd.tcl error frame 3 out of range for molecule 0"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Hi,
I have a xyz file with an extra column for a given property. In my case this property is the percentage of a certain atomic orbital on the atom (though its physical meaning is irrelevant). My file it would be something like:
56
C 3.12435 4.56460 4.54668 0.25
O 4.53425 3.32442 3.23423 0.11
....
I would like to generate a color surface (like for electrostatic potential) with the value of this property.
Is there any utility to generate a mesh of points and plot this data?
Thank you!
Anna.
- Next message: Anna Amat: "surface of an atomic property"
- Previous message: John Stone: "Re: trying to combine closewater.tcl with bigdcd.tcl error frame 3 out of range for molecule 0"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]