Re: [Avogadro-Discuss] How do I access the Z-matrix tool?

2014-04-07 Thread Jens Thomas
Hi, If you're working on code to create z-matricies, then there is code in the CCP1GUI that might be of interest to you. You can find the CCP1GUI here: http://sourceforge.net/projects/ccp1gui/ The main code to generate the zmatrix is the autoz routine here:

Re: [Avogadro-Discuss] Avogadro crashing and kekulize

2013-02-03 Thread Jens Thomas
On 4 February 2013 02:42, Geoffrey Hutchison geoff.hutchi...@gmail.comwrote: Is it possible for me to turn off the ring perception without hacking the code and building my own version? You can use File-Import-Molecule File and turn of bond order perception. Then when you load a file, it

Re: [Avogadro-Discuss] Teaching and Walk-Throughs

2012-05-18 Thread Jens Thomas
This may not be relevant, but thanks to Marcus' efforts, we've had Andrew Miller, who is chairman of the UK Science and Technology Select Committee driving Avogadro with a Kinect. There is a brief description and some videos here: http://pore-behaviour.com/report2.html Best wishes, Jens On 18