Previously, blank citekeys would be exported. Citekeys are now unlocked when they are deleted, reverting back to a universal citekey.Dragging a metadata file onto the Overview inspector for a paper will now correctly offers the ability to replace the paper's metadata.Library Export: All exporters now respect currently-selected papers regardless of which tab is selected, rather than only exporting any previously-selected papers in the Library tab.Multiple authors or keywords can now be added or deleted without the "Add Author" & "Add Keyword" pop-over views being dismissed automatically.Papers Online: Improvements to error handling when signed in to Papers Online.Library Search: Complete library metadata is now available when using the Search tab and "Papers Library" as the search engine.Papers Online: Changes to star rating, color labels or general notes for papers in Papers Online collections are now shown consistently.Reduces the likelihood of app crashes in rare circumstances, for example when editing note annotations.Paper management: Choosing "New Paper → From Reference…" when viewing a paper in the Reader no longer results in a crash.Keyboard shortcuts: Adds "Add Review" & "Add Keywords" menu items (keyboard shortcuts ⇧⌘R and ⇧⌘K respectively) under the "Paper" menu, previously available in Papers 2.The extremely popular reference management application Papers has been updated. The OSX binary is 64-bit.įor more information see APBS & PDB2PQR: Electrostatic and solvation properties from complex molecules. Improved error catching on web interface.Changed time format on querystatus page.Improved error regarding backbone in some cases.Can now specify output directory for PDB2PKA.PDB2PKA can be instructed whether or not to start from scratch with –pdb2pka-resume.
PDB2PKA now detects and reports non Henderson-Hasselbalch behavior.Support for compiling with VS2008 in Windows.
Integration of PDB2PKA into PDB2PQR as an alternative to PROPKA.Option to automatically drop water from pdb file before processing.
#SCIGRAPH WITH SIMPLY FORTRAN CODE#
They are NOT included in the source code and are not compiled with the rest of PDB2PQR. The libraries to make this feature available are included in the binary releases. PDB2PKA as an alternative to PROPKA for calculating pH values used to protonate residues.
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