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@speleo3 speleo3 commented Oct 17, 2015

This patch doesn't change the default behavior of MolScript, but it activates some fine tuned bonding rules if the bonddistance parameter is set to 0.0.

  • prevent bonds between different alt locations
  • prevent bonds between different models
  • do radii overlap dependent bond detection, with special cutoffs for hydrogens and sulfurs

The cutoffs are hard coded and borrowed from PyMOL.

I also suggest to make bonddistance=0.0 the default with molauto.

If the bonddistance parameter is 0.0, then:
- prevent bonds between different alt locations
- prevent bonds between different models
- do radii overlap dependent bond detection, with special cutoffs
  for hydrogens and sulfurs (cutoffs borrowed from PyMOL)
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