Arne, Thomas

Thanks alot. Bond works finw


I'd like just to ask what about geometry optimisation of the new structure

E.g I want create 5memb imidazole ring where the 2 adj atoms are apart from 1.5 A from each other.

When I've create new bond by bond command new ring look like 6memb ( like benzol) because of long distance between adj atoms.

How I could optimise geometry of the new mollecule? Have pymol some built-in functions like conformational search be means of monte carlo or energy minimisation ?


James

2012/1/27 Thomas Holder <speleo3@users.sourceforge.net>
On 01/27/2012 09:11 AM, James Starlight wrote:
Dear PyMol users!

I need to create NEW covalent bond between two adjacent atoms. How this
could be done in PyMOl?

you could have guessed it: http://pymolwiki.org/index.php/Bond
:-)

The atoms must both be within the same object.


Cheers,
 Thomas

--
Thomas Holder
MPI for Developmental Biology
Spemannstr. 35
D-72076 Tübingen