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Created with Raphaël 2.2.011Apr86530Mar2923169610Nov17Sep29Feb282322988Jan218Dec15137Sep17Jul14138Feb131Jan302412Dec11Nov3Oct28Sep271931Aug24181711515Jul131298527Jun232220161514726Apr831Mar30292825241815141124Feb23222118111030Dec2928222120Nov19121127Sep3Aug31JulChanges in options to choosesasa-pythonsasa-pythonchange name old gromacs sasa GlycoSASA.py to GlycoSASA _legacy.py, and GlycoSASA_pyth_only.py to GlycoSASA.pychange name option, change default value of nthreads to 1, add all threads option -1tesselation as an optiondefault 200 ndotstidy comments,remove unecessary thingsback to fibonacci method with all these changesglycans gridImplementation Eisenbacher method in tesselationget neighbour changes - delete max neighbour in cell, because it skipps sometimes important atoms and difference in time is very small - meaninglessDelete unecessary printing num of pointsResolve a bug with negative coordinatesImprove point distribution in icosahedral tesselationAdd glycosasa per residue value for testing with other prepared molecules. Try to make script more universalicosahedral tessellation instead of fibonacci, cpu adjustment, glycan gridAdd GlycoSASA_pyth_only.py script preliminary, for shielding calc in a tutorial, code not integrated with the rest, runs separatel still will be upgr to be faster, more universal, and error-free etcfix bad atom selection for tutorialmainmainfixed typo in backbone definitionadd nodefaults to avoid Anaconda licensingdev webapp_onlinedev webapp_onlineMerge branch 'webapp_online' into mainapply unique reference to Cell paperMerge branch 'webapp_online' into mainRevert "revert"Merge branch 'webapp_online' into mainRevert "Update index.md"Revert "Update index.md"Revert "Update index.md"Revert "Update index.md"revertUpdate index.mdUpdate index.mdUpdate index.mdUpdate index.mdMerge branch 'fix_cell_doi'update Zenodo dataset for GLYCAN_LIBRARYadd final paper reference and doifix logo displayadd headline to stay consistentadd logo to webapp, additional tweaksstreamline jekyll pages