The Molecular Graphics Laboratory Forum

AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
It is currently Tue Jan 16, 2018 7:26 pm

All times are UTC




Post new topic Reply to topic  [ 4 posts ] 
Author Message
 Post subject: AutoDock Optimization
PostPosted: Wed Oct 07, 2009 9:55 am 
Offline
Millimolar User
Millimolar User
User avatar

Joined: Wed Oct 07, 2009 9:44 am
Posts: 2
Dear All,

Simply wish to share one of my article as published in Intel Forum which suggests - How AutoDock (v-4.0.1) source code if re-designed can utilize SSE stacks efficiently. Focus has been initially on torsion.cc API.

Link: http://software.intel.com/en-us/articles/vectorization-writing-cc-code-in-vector-format/

~BR
Mukkaysh Srivastav


Top
 Profile  
 
PostPosted: Mon Feb 01, 2010 11:18 am 
Offline
Millimolar User
Millimolar User
User avatar

Joined: Wed Sep 16, 2009 2:02 am
Posts: 4
Dear professor Mukkaysh Srivastav,

I have read the article published in the Intel Forum which optimize the torsion.cc by SSE4. I am interested in the article and read it carefully. After your optimization, the three dimension calculation could be finished in only one clock time using the 128 bit SSE register. What you have done is very good work. The efficiency must be significant enhanced. Would you mind to share your modified "torsion.cc" source code with us? My e-mail is : mmpbsa@126.com.

Looking forward for your reply!

Qianlee


Top
 Profile  
 
PostPosted: Mon Feb 01, 2010 12:13 pm 
Offline
Millimolar User
Millimolar User
User avatar

Joined: Wed Oct 07, 2009 9:44 am
Posts: 2
Hello.

Mail me at "srimks@msn.com". Thanks for your updates.

~BR
Mukkaysh Srivastav
http://www.mukkaysh.blogspot.com


Top
 Profile  
 
PostPosted: Wed Feb 04, 2015 6:57 am 
Offline
Millimolar User
Millimolar User
User avatar

Joined: Wed Feb 04, 2015 6:48 am
Posts: 1
These methods employ a simulation or optimization method to search through the space of ligand-receptor configurations.This topic have more then one articles to be released it works for very popular. You want more information for article writing to see essay writing service review it will give us best choice of writing service.


Top
 Profile  
 
Display posts from previous:  Sort by  
Post new topic Reply to topic  [ 4 posts ] 

All times are UTC


Who is online

Users browsing this forum: No registered users and 2 guests


You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum

Search for:
Jump to:  
POWERED_BY
Translated by MaĆ«l Soucaze © 2009 phpBB.fr