[Dock-fans] Setting 'Anchor' and 'Rigid' Atom Sets

Scott Brozell sbrozell at rci.rutgers.edu
Tue Apr 7 11:43:50 PDT 2009


Hi,

On Tue, 7 Apr 2009, Mohd Afiq Hazlami wrote:

> Hi. I need some help. Is there any other way to set anchor and rigid atom
> sets without using Sybyl? And is it necessary to set the anchor and rigid
> atom on every ligand molecule's that I'm going to use?

I do not understand the questions.  Note that 
Manual Specification of Non-rotatable Bonds
is not currently available:
http://dock.compbio.ucsf.edu/DOCK_6/dock6_manual.htm#ManualSpecificationofNonrotatableBonds
If that does not answer your question then send more details and context.

> Can't I just use
> Chimera or other converting tools to create a mol2 file for the ligands?

Yes, that certainly is the normal route.

Scott



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