Download Version 2.0 User`s Manual
Transcript
i Should you read this manual? If you would only like to use the basic functionality of SMOG v2 (i.e. the standard supported models), then you may find that the README file associated with the distribution provides all the information you need. This manual provides a more detailed description of the basic usage guidelines, in addition to advanced usage information and detailed descriptions of the underlying methodologies/models. For basic users, if the README is not sufficient, then Chapters 1, 2 and 3 will help you get started. For more advanced users, who may wish to modify structure-based models (e.g. extending to new residue types, ligands, electrostatics, etc), then consulting Chapters 4 and 5 will be necessary. We additionally provide appendices that have technical details that may be of interest to some users. While we try to provide all pertinent information here, don’t hesitate to contact us for clarification. SMOG v2, and all associated files, are distributed free of charge, made available under the GNU General Public License.