GreenD
National Hazard
Posts: 623
Registered: 30-3-2011
Member Is Offline
Mood: Not really high anymore
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Physical Chemistry Software
Hey all.
I'm wondering if anyone has preferences for molecular modeling software. I have a molecule that I want to look at the energies of a specific
conformation.
I am also wondering if there is a program that can interact with PyMOL to look at certain binding pockets of proteins and their respective ligands and
look at these energies of conformation.
Any pointers would be appreciated.
ʃ Ψ*Ψ
Keepin' it real.
Check out my new collaborated site: MNMLimpact.com
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neptunium
National Hazard
Posts: 990
Registered: 12-12-2011
Location: between Uranium and Plutonium
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i use the one from the EPA it let you build organic molecules and predict the approximate physical properties...i cant find the exact name but its on
the EPA website...
TEST is anothor one for toxicity and DEREK
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jokull
National Hazard
Posts: 506
Registered: 22-2-2006
Location: Everywhere
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Mood: Ice glassed
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Few days ago I was invited to test a free trial of the packages MOE and PSILO. I'm not working computational right now but maybe those could be useful
for you.
www.chemcomp.com/MOE2012.htm.
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