Access macro updating addreses


19-Apr-2017 12:04

Improved macro: 'md_analyze' can additionally visualize the dynamic cross correlation matrix (DCCM) by drawing blue/red cylinders between anti-/correlated residues, just set dccmsel as needed and load *_afterwards (Dynamics ).New support for the latest Android versions (5.0 ), including a bug fix for error "win_nextentryoftype: End of window reached".Since write access has been restricted by Google, YASARA is now installed in a different folder /sdcard/Android/data/org.YASARA.app/files New highlight: MD simulations of globular proteins run between ~10% (with GPU) to ~20% (CPU only) faster thanks to support for dodecahedral simulation cells in the new 'Cell' command.Improved command: 'Pressure Ctrl' offers a new mode 'Manometer2D' that keeps the aspect ratio of the simulation cell in the XZ-plane constant and thus makes sure that an initially square membrane stays a square also after long simulations (Dynamics ).Improved macros: The membrane simulation macros md_runmembrane*now create square membranes by default and also keep them square during long simulations, unless the 'square' flag is set 0 (Dynamics ).Using an inhibitor for HIV protease as example, this help movie shows how to visualize protein-ligand interactions, predict ligand binding affinities and improve ligands with the small-molecule builder.

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You can thus observe interesting events step-by-step again after restarting from the last snapshot before the event (Dynamics ).

New highlight: YASARA's graphics engine and user interface have been reimplemented for high and ultra-high resolutions, the new limits for the YASARA Window size are 4K in YASARA View (3840x2160) and 8K in YASARA Model (7680x4320).



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