Blaster Issues: Difference between revisions

From DISI
Jump to navigation Jump to search
No edit summary
 
m (problem report from magdalena, low priority but things we should be aware of)
 
(2 intermediate revisions by 2 users not shown)
Line 14: Line 14:
= 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




Line 22: Line 23:


-- Francesco . Jul 10, 2008
-- Francesco . Jul 10, 2008
Back to [[DOCK Blaster]]
[[Category:DOCK Blaster]]

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

Back to DOCK Blaster