[Dockdev] write_orientations

Scott Brozell sbrozell at scripps.edu
Thu Sep 18 15:14:48 PDT 2008


My preference is to send these operational questions to dock-fans
in the hope that someone besides John or me will answer them.
By the way, I invite comments on ways to foster more user
participation on answering dock-fans.

ECho, Echo, echo.

I recall conversations with Terry, where writing growth was discussed;
I think the concensus was that this would just blow up in the hands 
of users due to the multiplicative file size growth.
But I think she did emit such info during her pruning algorithm 
studies.  You should seek out the great east bay oracle
(and follow up with a summary here).

Ok, so this one might have a development aspect.


Where does a pirate dock his ship ?

On Thu, 18 Sep 2008, Carlos P Sosa wrote:

> Activating these two flags create a mol2 file with only info. about the
> anchor.  Is there a way to get anchor plus more layers?
> write_orientations                                           no
> num_scored_conformers_written                                1

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