[Dock-fans] Re: Dock-fans Digest, Vol 32, Issue 16

Scott Brozell sbrozell at scripps.edu
Mon Mar 5 15:01:36 PST 2007


Hi,

Please use email subjects that facilitate searching.

On Tue, 27 Feb 2007, David Thompson wrote:

> Any idea as to when you're going to be releasing bugfix 1 for DOCK6.1?

No, not a good idea.
One part of this bugfix is a correction of an off by one error.
Another part concerns sampling, and there has been some question
about that part; this part is under investigation.

Here is the part of bugfix 1 that is a correction of an off by one error:

Fix:  make the following changes to the file src/dock/orient.cpp

***************
*** 1487,1494 ****

          current_clique++;

          if ((current_clique == max_orients)
!             || (current_clique == cliques.size() - 1))
              last_orient_flag = true;
          else{
              last_orient_flag = false;
--- 1493,1502 ----

          current_clique++;

+         // DTM - ensure all cliques are examined as
+         // orients including the last one
          if ((current_clique == max_orients)
!             || (current_clique == cliques.size()))
              last_orient_flag = true;
          else{
              last_orient_flag = false;



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