AboutDownloadsDocumentsForumsWikiSource CodeIssuesNews

Release Name: MSMBuilder2.0.3

Release Notes

MSMBuilder 2.0.3 1. BugFix: In ConvertDataToHDF, the Stride option was not being used for non-FAH style datasets. 2. Fixed unicode strings were causing scipy issues on certain platforms. MSMBuilder 2.0.2 1. Fixed issue with AtomIndices in UpdateProjectToHDF 2. Using dtype='int' for Assignments, consistent throughout MSMBuilder. 3. CalculateImpliedTimescales now allows users to exit through control+C 4. Fixed some tabbing issues in MSMBuilder 2.0.1 1. Fixed a bug in ConvertProjectToHDF that prevented MSMBuilder from seeing multiple XTC files in a single directory. 2. Fixed carriage return issues in UpdateProjectToHDF 3. Fixed minor bugs in Project class. 4. If Project cannot find its PDB, it also will look in the current directory. This helps when the absolute path of a Project changes. 5. Unit tests. 6. Removed unnecessary files, reducing the package size to 10MB.