Category: Software → Chemical Computing Group MOE 2009.10 MULTIPLATFORM iSO

Chemical Computing Group MOE 2009.10 MULTIPLATFORM iSO






Molecular Operating Environment: Real Time Ray-traced Graphics, Scaffold Replacement/Fragment Linking, MOE/web SOAP Server, LowModeMD Conformational Search, Synthetic Score Descriptor, Protein/Antibody Modeling.


Real Time Ray-traced Graphics
• Visualize molecular systems with ray-traced quality in real time
• Create high quality images for posters and presentations
• Use multicolored backgrounds, new styles and focal blur effects
Samples available in MOE Image Gallery

Scaffold Replacement/Fragment Linking
• Find new scaffolds, link R-groups or grow molecules
• Apply synthetic feasibility test
• Filter with 2D and 3D constraints (descriptors, fingerprints, pharmacophore)

MOE/web SOAP Server
• Deploy MOE functionality with the web SOAP protocol
• Integrate MOE into pipeline workflows
• Add custom SOAP functionality with SVL programs

LowModeMD Conformational Search
• Generate conformations from low frequency vibrational mode transitions
• Use novel implicit velocity filtering methodology for large systems
• Apply to small molecules, macrocycles, or protein loops

Synthetic Score Descriptor
• Perform extensive retrosynthetic disconnections
• Compare fragments to a starting materials database
• Report fraction of molecule reduced to starting materials

Protein/Antibody Modeling
• Create antibody models using the MOE/web interface
• Select antibody CDR geometry from pre-calculated clusters
• Align proteins with enhanced algorithm and interface

Operating Systems
* Windows 2000/XP/Vista/Windows 7
* Linux
* Mac OS X
* Sun Solaris 10 (Minimum Solaris 8)
* Silicon Graphics Irix 6.5

OS : Multiplatform
Cracker : Team Lz0
Packer : Team Lz0
Rating : 8/10
Supplier : Team Lz0
Language : English

+ I N S T A L L +
1) Unpack.
2) Install.
3) Read Lz0\install.txt
4) Enjoy!

Homepage: http://www.chemcomp.com/software-moe2009.htm