From owner-chemistry@ccl.net Tue May 13 17:47:01 2014 From: "Elaine Meng meng,cgl.ucsf.edu" To: CCL Subject: CCL: UCSF Chimera new release Message-Id: <-50079-140513170634-14185-f/1wLbKI6HNCQJSswNteEQ _ server.ccl.net> X-Original-From: "Elaine Meng" Date: Tue, 13 May 2014 17:06:31 -0400 Sent to CCL by: "Elaine Meng" [meng .. cgl.ucsf.edu] Hello everybody, A new production release of UCSF Chimera (version 1.9) is available: http://www.rbvi.ucsf.edu/chimera/download.html Download is free for noncommercial use. Platforms: Windows, Mac, Linux, including 64-bit versions (recommended for working with large datasets on machines with at least 4GB memory). New features include multiple sequence alignment using Clustal Omega or MUSCLE web services, building double-helical nucleic acids, "colorkey" command, "struts" command to reinforce structures for 3D printing, "vseries" volume series playback and processing options, more efficient save/restore of coordinates in sessions, Dynameomics amino acid rotamer library, WMV2 movie output, COLLADA export. More details are given below; see release notes for the full list: http://www.rbvi.ucsf.edu/chimera/docs/relnotes/1.9.html Display, Interface: * icon for menu selection mode: Append, Intersect, Replace, Subtract * distance monitor line style and color can be saved as preferences * silhouette outlines can be controlled per-model * Axes/Planes/Centroids objects can be recolored with Actions menu * "colorkey" command implementation of Color Key tool Structure Analysis and Modeling: * new Align Chain Sequences tool for multiple sequence alignment of structure chains using a Clustal Omega or MUSCLE web service (these can also be called to realign the sequences in an existing Multalign Viewer window) * "mda" command to Blast-search and retrieve structures similar to a query sequence, lay them out left->right by N->C along the query * APBS interface omits explicit solvent by default * "coulombic" command allows specifying atoms/charges to use for ESP calculation independent of the surface to color * Build Structure tool allows generating nucleic acid double helices, specifying phi angle when joining peptides * "adjust" command to change bond angle or length * MD Movie session support for partly loaded trajectories * Morph Conformations pairs chains by ID if the sets of IDs are same * "ramachandran" command can assign probabilities as attributes * Rotamers/swapaa include Dynameomics rotamer library (Daggett group) Volume Data (density maps, ESP maps): * "vop" volume operations to take pointwise maximum or multiply maps * "vseries" command options to open and close volume time series, jump playback to a specific frame, perform various processing such as alignment, normalization, cropping, compressing, save to file * new volume input format VTK structured points (ASCII) General, I/O: * some Preferences reorganization, new categories: Labels, Selection * more efficient save/restore of coordinates in sessions * new output movie format WMV2 * new export formats COLLADA, VTK * "struts" command to add strengthening bonds for 3D printing * "leap" command for using Chimera with a Leap Motion Controller Enjoy! On behalf of the Chimera team, Elaine ---------- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco