Difference between revisions of "Blaster Issues"

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m (2 revisions)
m (problem report from magdalena, low priority but things we should be aware of)
 
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= Auto prep script =  
 
= Auto prep script =  
 
works as far as I know on most targets, with the following exceptions.  
 
works as far as I know on most targets, with the following exceptions.  
 
+
-irons are now protonated
 +
-asps are now sometimes protonated
  
  

Latest revision as of 23:37, 30 October 2012

This page describes current problems with DOCK Blaster.

Pose Fidelity

1. 1abc fails with 5A rmsd. Due to XXX 2. xxx

Enrichment

1.

Big ligands

1. this is too big


Auto prep script

works as far as I know on most targets, with the following exceptions. -irons are now protonated -asps are now sometimes protonated


Other failures

-- Francesco . Jul 10, 2008

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