Hi Haixin,
Most of our effort is to support the mmcif format since the PDB does not even provide the old PDB format for many new entries. The sym command has an addMmcifAssembly option that adds the matrices to an mmcif file.
Tom
On Jul 1, 2025, at 5:24 PM, Elaine Meng via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Hello Haixin,Based on our earlier emails I guess by "input" you mean the symmetry that you entered with the "sym" command. As far as I know, there is no way to output that as BIOMT matrix into a PDB file, sorry. Maybe if anybody else has an idea of how to do this (with any program), they can answer.Best,Elaine-----Elaine C. Meng, Ph.D. UCSF Chimera(X) teamResource for Biocomputing, Visualization, and InformaticsDepartment of Pharmaceutical ChemistryUniversity of California, San FranciscoOn Jul 1, 2025, at 2:16 PM, Sui, Haixin (HEALTH) via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Hello
Is there a way to write out the BIOMT matrices associated with the input symmetry symbol in the output PDB file saved by Chimerax?
Thank you
Haixin
--
Haixin Sui, Ph.D
Pronouns: he, his, him (What’s This?)
Principal Investigator
Wadsworth Center
NY State Department of Health
Biggs Lab C311, Empire State Plaza
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(518) 474-4235 (o)
haixin.sui@health.ny.gov
www.wadsworth.org/research/laboratories/sui-laboratory/sui-laboratory
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