So I wrote this script long time ago to help loading multiple models (both pdb and mtz files) at once that also contained several useful shortcuts to navigate through the set of structures etc. I haven't used it in quite some time, and it was pointed out to me recently that it breaks more recent versions of coot. This is a low priority issue, but I tried to troubleshoot it and don't quite understand what's going on.
The .coot.py basically finds a special file in the current folder and reads lines from it that contain paths to pairs of pdb and mtz files. Long story short, you end up with a list variable named "pdb" that has your pdb files. I can troubleshoot to this point just fine. The I do this in .coot.py for thispdb in pdb: > handle_read_draw_molecule(thispdb) and coot crashes saying this (handle-read-draw-molecule-with-recentre "f6_3_mosflm_refine.pdb" 1) > INFO:: Reading coordinate file: f6_3_mosflm_refine.pdb > PDB file f6_3_mosflm_refine.pdb has been read. > Spacegroup: P 65 > INFO:: Found 1 models > Model 1 had 0 links > in add_molecular_symmetry_matrices() made 0 biomt matrices > INFO:: NCS chain comparison 121/121 > INFO:: fill_ghost_info Constructed 1 ghosts > Ghost 0 name: "NCS found from matching Chain B onto Chain A" > /blaineware/ccp4/ccp4-7.0/bin/coot: line 318: 31196 Floating point > exception(core dumped) $coot_bin "$@" > /blaineware/ccp4/ccp4-7.0/bin/coot: line 308: guile: command not found > failed to launch the crash catcher Now here comes the twist. If I comment out the above command in .coot.py, then proceed to Calculate-Scripting-Python and issue these 3 commands handle_read_draw_molecule(pdb[0]) > handle_read_draw_molecule(pdb[1]) > handle_read_draw_molecule(pdb[2]) it works fine and loads all 3 structures I was trying to open automatically via .coot.py. So there must be something different in environment when .coot.py is executed and when coot ids "fully loaded". Any suggestions? Ed. --- Coot verendus est ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=COOT&A=1
