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 <spel...@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<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
>
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