From owner-chemistry@ccl.net Fri Jun 14 11:43:01 2024 From: "Elaine Meng meng]|[cgl.ucsf.edu" To: CCL Subject: CCL: ChimeraX 1.8 release Message-Id: <-55170-240614113331-19045-xG+9ooz9j38bBiBSkQkbOA{}server.ccl.net> X-Original-From: "Elaine Meng" Date: Fri, 14 Jun 2024 11:33:26 -0400 Sent to CCL by: "Elaine Meng" [meng~~cgl.ucsf.edu] UCSF ChimeraX version 1.8 has been released! ChimeraX includes user documentation and is free for noncommercial use. Download for Windows, Linux, and MacOS from: https://www.rbvi.ucsf.edu/chimerax/download.html Updates since version 1.7 (Dec 2023) include: - show worm depictions of attribute values (B-factor, conservation, etc.) using Render by Attribute tool or "cartoon byattribute" command - show attribute values with atomic radii using Render by Attribute or "size byattribute" - Select by Attribute graphical interface - Join Models generalized to any covalent bond (not just peptide) - show multiple alternate locations simultaneously with "altlocs show" - "pbond" command to create arbitrary pseudobonds - "measure contactarea" to report the area of one surface within a cutoff distance of another - Segmentations tool for interactive manual segmentation in 2D slice views, 3D (desktop), or 3D (VR) can be applied to any volume data, not just medical images; several fixes and ergonomic improvements including icons to assign/deassign mouse and VR hand-controller modes with a single click - set up and analyze batch AlphaFold predictions to search for protein-protein interactions (commands for advanced users who can run ColabFold directly on Linux) support for: - reading predicted aligned error (PAE) data from AlphaFold 3 - reading docking results from MOE - fetching atomic structures and maps from PDB-REDO - fetching/display of PDB NMR-STAR restraints For details, please see the ChimeraX change log: https://www.rbvi.ucsf.edu/trac/ChimeraX/wiki/ChangeLog On behalf of the team, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Resource for Biocomputing, Visualization, and Informatics Department of Pharmaceutical Chemistry University of California, San Francisco From owner-chemistry@ccl.net Fri Jun 14 13:24:01 2024 From: "Priyanka K abipriyanka4899()gmail.com" To: CCL Subject: CCL: Regarding fluorescence/Phosphorescence life time and yield Message-Id: <-55171-240610101537-4685-gaOP29srW/7rZgIXnEq9eQ#%#server.ccl.net> X-Original-From: "Priyanka K" Date: Mon, 10 Jun 2024 10:15:35 -0400 Sent to CCL by: "Priyanka K" [abipriyanka4899!=!gmail.com] Hi,Can you provide the procedure for calculating fluorescence/Phosphorescence life time and yield using DFT and TD-DFT From owner-chemistry@ccl.net Fri Jun 14 13:59:01 2024 From: "Jacek Korchowiec korchow[-]chemia.uj.edu.pl" To: CCL Subject: CCL: CTTC IX (Krakow, 01-05.09 2024) - extension of registration deadline Message-Id: <-55172-240614070005-32077-moeKZxVEwHvqdLlbSpti7w*server.ccl.net> X-Original-From: "Jacek Korchowiec" Date: Fri, 14 Jun 2024 07:00:01 -0400 Sent to CCL by: "Jacek Korchowiec" [korchow,,chemia.uj.edu.pl] Dear Colleagues, We would like to inform you that the conference CURRENT TRENDS IN THEORETICAL CHEMISTRY IX (CTTC IX) is still open for registration (until June 23rd 2024). It is especially important that we receive the registration by that date in order to include your information in the conference book of abstracts. The conference will be held in Krakow from September 1 to 5, 2024 and the organizer is the Faculty of Chemistry at Jagiellonian University. More details can be found on the website: https://cttc9.confer.uj.edu.pl You can contact the organizers for additional information (cttc9 : uj.edu.pl). If you are unfamiliar with the CTTC series of conferences, also feel free to visit the websites of previous CTTC conferences: www2.chemia.uj.edu.pl/cttc5/, , www2.chemia.uj.edu.pl/cttc8/. We hope that we will meet your scientific needs and we look forward to seeing you in September. We leave the rest to the city of Krakow, which, as the former capital of Poland, has its own unique appeal. CTTC IX Organizers