Hi Dale, I'm afraid that only reading the first block in a structure factor file is currently a limitation of the plugin. On the other hand, there's nothing to stop you from splitting the structure factors into multiple .cif files and opening them one after the other - as long as the cell and symmetry details match, the number of structure factor datasets you can associate with a single model is theoretically unlimited (although things might get a bit messy/laggy if you have too many displayed at once). Best, Tristan On Thu, Jun 26, 2025 at 8:10 PM Kreitler, Dale via ChimeraX-users < chimerax-users@cgl.ucsf.edu> wrote:
Hi,
I'm working with mmcif files that contain multiple blocks of x-ray structure factors, such as those that arise from x-ray fragment screening campaign PDB group depositions.
With the chimerax clipper plugin I'm able to open these mmcif files and associate the structure factors with the corresponding model, but this action only works for the first block in the file which contains the output of the refinement program. I'd like to access the other blocks which contain the binding event/evidence density maps.
Would someone be able to point me in the right direction for accessing the additional blocks?
Thank you, Dale
============================= Dale Kreitler AMX Beamline Scientist National Synchrotron Light Source II Building 745, Rm. 5L143 Upton, NY 11973 631-344-7318 _______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/
-- Altos Labs UK Limited | England | Company reg 13484917 Registered address: 3rd Floor 1 Ashley Road, Altrincham, Cheshire, United Kingdom, WA14 2DT