Exorga, Inc. - Molecular Modeling
The full-featured (no nags, no limits in capabilities) demo version is available for FREE!
StruMM3D generates the best molecular simulations of single molecules and docked molecular clusters, of any molecular mechanics program currently available. If you want to do serious, sophisticated molecular modeling, like working with biomolecular clusters, including chelated metal atoms, and the many other things that the student versions of software packages cannot do, then you will want to use StruMM3D.
If you want to do modern molecular modeling, in which molecular structural features are generated in direct response to the structural and stereo-electronic features of the molecule being simulated, and NOT by inflexible templates, then consider using StruMM3D.
Try using one of the other molecular modelers to search a large complex protein structure for important features like non-delocalized amide linkages! Only StruMM3D can do that successfully.
The advanced structure analytical algorithms of StruMM3D have been exhaustingly tested, and shown to be vastly superior to others, in detecting subtle stereo-electronic effects embedded in diffraction generated coordinate data, like delocalization, aromaticity and anomeric effects. No other molecular mechanics based program can help you to understand the interplay of structure and reactivity because they do NOT perform their calculations with explicit inclusion of lone pair interactions. For example, the ONLY molecular mechanics program that can predict the relative nucleophilicities of the hydroxyl groups in a polyol is StruMM3D.
Did you know that the vast majority of quantum mechanical theoretical studies start with molecular models generated by molecular mechanics? And that even when a low-end MM program is used to make the initial model, the QM manipulations hardly ever result in any change in the structure? Did you know that it is almost impossible to generate a realistic molecular model, ab initio, using any QM method? And, when you do your simulation, did you use the right basis-set, the best set of approximations, to get the best model?
And, while we are here, PLEASE remember that........
Windows 7 users should
remember that StruMM3D is a 32 bit program. Tell us about any
compatibility issues that you might encounter.
Since StruMM3D is now compiled with VB6 there should be no
incompatibilities.
Now that StruMM3D is compiled with VB6, any User Account Control issues that you might have had in the past should no longer occur. VB6 is totally compatible with Windows 7 and Vista. You should not need to execute StruMM3D by using the “run as an administrator” option.
The Windows 7 UAC (User Account Control) feature is, in fact, badly flawed. We have Windows 7 on a single user computer and the Owner/Administrators have full control over drive C:. We copied a small text file to drive C:\ (the root dir.) and tried to make one small change in it. With UAC on, and at the intermediate setting, we were unable to save the modified file, no matter what we did. With UAC off, we were able to use the computer normally. The Windows 7 UAC (User Account Control) feature is badly constructed and needs to be fixed.
Most emulators that run Windows in Apple Macs will run StruMM3D almost as fast as it runs in a PC with Windows.
We strongly recommend that
Windows XP users use Internet Explorer 9 Release Candidate, or more recent
version when it appears, instead of IE8 or IE7.
We have added a short tutorial on drawing molecules using StruMM3D at the StruMM3D FAQ site. Take the time to find out more about StruMM3D and remember to visit the StruMM3D FAQ for hints, user/program tips and additional help.