The global war on error - Revision history

Therese: 6 revisions

2012-10-08T20:33:12Z

6 revisions

← Older revision

Revision as of 20:33, 8 October 2012

Frodo: /* Wrong tautomers */

2009-09-02T04:44:28Z

Wrong tautomers

← Older revision		Revision as of 04:44, 2 September 2009
Line 14:		Line 14:

	= Wrong tautomers =		= Wrong tautomers =
	~~They~~ guys are even more subtle. What makes matters worse is that two sober chemists will often disagree about which tautomer is more physiologically relevant. When you let us know where they guys are hiding, please make a case that includes some sort of documentary evidence so we can bring them to book.		These guys are even more subtle. What makes matters worse is that two sober chemists will often disagree about which tautomer is more physiologically relevant. When you let us know where they guys are hiding, please make a case that includes some sort of documentary evidence so we can bring them to book.

	= Other problems =		= Other problems =

Frodo at 19:07, 31 August 2009

2009-08-31T19:07:09Z

← Older revision		Revision as of 19:07, 31 August 2009
Line 19:		Line 19:
	There is a seething underworld of problems in molecular docking in general and our software in particular. A kind of "10 most wanted list", if you will. More will be added here soon. Until then, please help us find these guys and help us "smoke 'em out of the binding site". Your fellow DOCK Blaster users will be grateful.		There is a seething underworld of problems in molecular docking in general and our software in particular. A kind of "10 most wanted list", if you will. More will be added here soon. Until then, please help us find these guys and help us "smoke 'em out of the binding site". Your fellow DOCK Blaster users will be grateful.

			[[DOCK Blaster:Broken molecules]]
	[[Category:DOCK Blaster]]		[[Category:DOCK Blaster]]
	[[Category:Problems]]		[[Category:Problems]]
	[[Category:FAQ]]		[[Category:FAQ]]

Frodo: /* Other problems */

2009-08-31T19:06:28Z

Frodo: /* Wrong protonated states */

2009-08-31T19:05:41Z

Wrong protonated states

← Older revision		Revision as of 19:05, 31 August 2009
Line 11:		Line 11:

	= Wrong protonated states =		= Wrong protonated states =
	These guys are tricky. Here, we need you to inform us about them when you find them, but also		These guys are tricky. Here, we need you to inform us about them when you find them, but also you'll need to explain why they are wrong unless it is really obvious (a short sentence will usually do).

	= Wrong tautomers =		= Wrong tautomers =

Frodo at 19:02, 31 August 2009

2009-08-31T19:02:39Z

← Older revision		Revision as of 19:02, 31 August 2009
Line 20:		Line 20:


	[[DOCK Blaster]]		[[Category:DOCK Blaster]]
	[[~~DOCK Blaster~~:Problems]]		[[Category:Problems]]
	[[~~Problems~~]]		[[Category:FAQ]]

Frodo at 19:02, 31 August 2009

2009-08-31T19:02:01Z

New page

The Global War on Error is the never-ending struggle for optimal docking.

Olaf Wiest's father says: Speed, Price, Quality. Pick two.

Let's see DOCK Blaster is fast. Check. DOCK Blaster is free. Check. That leaves quality.

The "Global War On Error" also known as the "Never-ending Struggle Against Violent Extrema" is pursuing a cast of unsavory characters wherever they are found.

= Broken sulfones =
These molecules appear broken in a docking hit list. Of course, this is simply a problem in our software. You can take these fellows on by telling us about them. We'll send a hit squad out to rebuild them into nice unbroken molecules.

= Wrong protonated states =
These guys are tricky. Here, we need you to inform us about them when you find them, but also

= Wrong tautomers =
They guys are even more subtle. What makes matters worse is that two sober chemists will often disagree about which tautomer is more physiologically relevant. When you let us know where they guys are hiding, please make a case that includes some sort of documentary evidence so we can bring them to book.

= Other problems =
There is a seething underworld of problems in molecular docking. A kind of "10 most wanted list", if you will. More will be added here soon. Until then, please help us find these guys and help us "smoke 'em out of the binding site". Your fellow DOCK Blaster users will be grateful.

[[DOCK Blaster]]
[[DOCK Blaster:Problems]]
[[Problems]]

← Older revision		Revision as of 19:06, 31 August 2009
Line 17:		Line 17:

	= Other problems =		= Other problems =
	There is a seething underworld of problems in molecular docking. A kind of "10 most wanted list", if you will. More will be added here soon. Until then, please help us find these guys and help us "smoke 'em out of the binding site". Your fellow DOCK Blaster users will be grateful.		There is a seething underworld of problems in molecular docking in general and our software in particular. A kind of "10 most wanted list", if you will. More will be added here soon. Until then, please help us find these guys and help us "smoke 'em out of the binding site". Your fellow DOCK Blaster users will be grateful.