Patches/9v3

Revision as of 20:56, 16 August 2022 by Modeller Caretaker (talk | contribs) (Tidy up markup, add to Patches category)


Patches on this page can be applied to Modeller 9v3 to fix some minor problems. (Use the Unix patch command, or apply them by hand.)

💡 The patches are listed in chronological order (oldest first), so you should apply them in this order to avoid problems.

  • append_model.patch: make alignment.append_model() copy the model's resolution, R-factor, name and source to the alignment.
  • structure-residue.patch: give residue objects in template structures all of the properties of alignment sequence residues (e.g. query of gaps) as well as most of those of model residues (xyz coordinates, etc.)
  • reread-ini-model.patch: make sure that automodel can read its initial model (.ini file) back in correctly in cases where this file contains HETATMs, waters, or hydrogen atoms, and you do not have the corresponding flags (env.io.hetatm etc.) set.