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calling coot with script requires now option --script
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(as reported by Qingping and Charles)
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wojdyr committed Aug 31, 2022
1 parent 0bb95bf commit 0b18a20
Showing 1 changed file with 3 additions and 2 deletions.
5 changes: 3 additions & 2 deletions main.py
Original file line number Diff line number Diff line change
Expand Up @@ -549,10 +549,11 @@ def _generate_scripts_and_pictures(wf, opt, data, pha=None):
white_bg=opt.white_bg)
_write_script(py_path, content)
# coot.sh - one-line script for convenience
coot_sh_text = '{coot} --no-guano '
if blobs:
coot_sh_text = '{coot} --no-guano {out}/%sblob1-coot.py\n' % prefix
coot_sh_text += '--script {out}/%sblob1-coot.py\n' % prefix
else:
coot_sh_text = '{coot} --no-guano {out}/final.mtz {out}/final.pdb\n'
coot_sh_text += '{out}/final.mtz {out}/final.pdb\n'
coot_sh_path = os.path.join(wf.output_dir, prefix + 'coot.sh')
_write_script(coot_sh_path, coot_sh_text.format(coot=coot_path or 'coot',
out=wf.output_dir),
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