Dear ChimeraX Team,
I'm currently working with the Boltz structure prediction tool in ChimeraX GUI (ChimeraX 1.10 Release Candidate (15 June 2025) ) and would appreciate your guidance on the correct command syntax—particularly when specifying the single or multiple protein components via
the ChimeraX GUI command line.
I would like to run Boltz predictions with the following specific parameters:
-
nstruct
: 5 (Default is 1) -
recycles
: 10 (Default is 3)
-
seed
: 42 (Random numbers of seed (integer), Fixed seed value ensures reproducible results)
-
steering
: true (enables or disables the steering potential)
I tried running the following command in the command line, "boltz predict protein sequences "MKALTQRPLD... (your protein sequence)" nstruct 5 recycles 10 steering true" but it doesn't work.
Could you please provide an example of the correct command format for:
-
A single molecular component (e.g., one protein sequence).
-
A multi-component system (e.g., protein + peptide or multiple protein chains).
Additionally, if there are any special considerations or formatting requirements for specifying multiple sequences or components in the GUI , I’d be grateful for your advice.
Thank you for your time and support.
Best Regards,
Arun
Arun Gupta PhD, MRSC
Sr. Post Doctoral Research Assistant
Gillespie/McMichael Group
Nuffield Dept. of Clinical Medicine,
University of Oxford,
Centre for Immuno-Oncology
Old Road Campus Research Building,
Roosevelt Drive, Oxford
OX3 7DQ
Tel: + 44 (0)1865 2612913