Where do you get the x_shift and y_shift values? I ended up writing a program to
take bond lengths and directions relative to select coord systems to generate
periodic or
almost periodic things. Right now polyenes but extensible. Is there some
program that
does this easily? This allows me to write a simple TcL script and reorient the
whole
molecule by changing one parameter . I don't currently have a way to include
library
items, like say a methyl group, and I was debating about doing this in python
but I wanted to have easy access to lapack etc for later extensions.
Thanks.
----------------------------------------
Date: Fri, 4 Jan 2013 11:13:39 +0100
From: spel...@users.sourceforge.net
To: jmsstarli...@gmail.com
CC: pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL] Building of the Carbon lattice
Hi James,
just calculate the coordinates and write them out in PDB format, quite
simple task. Try the attached script.
Cheers,
Thomas
James Starlight wrote, On 01/04/13 09:14:
> Hi Mike,
>
> Chimera can build such lattices by means of it's build structure
> module. On other hand I want to build such 2D lattices
> http://imageshack.us/photo/my-images/543/lattice.png/
> made from SP3 carbons as the nodes via some automatic script to
> obtain lattices with desired dimensions.
>
> James
--
Thomas Holder
PyMOL Developer
Schrödinger Contractor
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