VMD-L Mailing List

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Mon Apr 27 2009 - 20:29:31 CDT

Dear Sebastian,
you should start by trying the version of molefacture available in the
vmd 1.8.7 alpha builds (available through biocore), which has a lot of
bugfixes and new features.
Best,
Peter

Sebastián Gutiérrez wrote:
> Hello everyone,
>
> i'm trying to build a topology file for a nanotube using Molefacture.
> But i keep getting this error, I don't know what it means...
> I checked the PDB file, and it doesn't have anything strange...
> The nanotube has about 1200 atoms, in case someone wonders...
>
> I'm using VMD 1.8.6 on linux (ubuntu intrepid)
>
>
> Thanks in advance!
>
> Sebastian Gutierrez
>
>
> PS: Here's the log given by the error window in VMD
>
> can't read "namehead": no such variable
> can't read "namehead": no such variable
> while executing
> "string toupper $namehead"
> (procedure "get_element" line 20)
> invoked from within
> "get_element $name $resname $mass"
> (procedure "assign_elements" line 9)
> invoked from within
> "assign_elements"
> (procedure "::Molefacture::molefacture_gui" line 70)
> invoked from within
> "::Molefacture::molefacture_gui $mysel"
> (procedure "::Molefacture::molefacture_gui_aux" line 14)
> invoked from within
> "::Molefacture::molefacture_gui_aux $::Molefacture::atomsel"
> invoked from within
> ".molefacstart.entry.go invoke"
> ("uplevel" body line 1)
> invoked from within
> "uplevel #0 [list $w invoke]"
> (procedure "tk::ButtonUp" line 22)
> invoked from within
> "tk::ButtonUp .molefacstart.entry.go
> "
> (command bound to event)