Discovery Studio 2.0 Updates - Details
Update 2 (version 2.0.2)
This update addresses the following issue:
- Critical license issue affecting the "Calculate Molecular Properties" protocol.
Description
This update (2.0.2) addresses a critical license issue with certain protocols that make use of the DMol3 server. Without this update, DMol3 will stop functioning after 31 October 2008 resulting in the following error:
- the "Calculate Molecular Properties" protocol will appear to succeed, but if the calculation of density functional QM properties have been requested, the generated .sd file will show errors for these properties.
Update 1 (version 2.0.1)
This update provides the following enhancements:
- Access the molecular overlay functionality through the DiscoveryScript API.
- Read molecules with pharmacophore features mapped to atoms with IDs greater than 100.
- Read all charges in MOL V3000 files.
- Add residues to more than one empty sequence in the Sequence Window.
- Modify residue styles created in the Sequence Window.
- Delete residues in the Sequence Window when the consensus sequence is hidden.
- Generate non-truncated lists using all pharmacophores in HypoDB.
- Display the alignment consensus by preference rather than by default.
It also include corrections in the following areas:
- Bond order perception for pyrimidine structures.
- Opening MSV files created from Insight II PSV files that contain polydot surfaces.
- Opening certain large animations from MSV files.
- MOL2 errors no longer hinder the subsequent opening of such files.
- Update of percent identity and similarity for selected sequences in the Sequence Window.
- Display of percent identity and similarity when pasting sequences into the Sequence Window.
- Display of the sequence background color in the Sequence
- Window after deleting gaps in an alignment.
- Pasting sequences from a text document into the Sequence Window.
- Paste other sequences into the alignment consensus sequence in the Sequence Window without corruption.
- Display of chain breaks when sequences are pasted into the Sequence Window.
- Linking of results from the Align and Superimpose Proteins protocol to existing structures.
- Preservation of all chain breaks after proteins used in MODELER-based protocols.