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This file is almost deprecated. It would be used if you have an old edissoc file with renamed atomnames (CA4Y etc.) and want want to rename your gro and top file to match that.
With the edissoc parsing changes this would no longer be needed but there is still an issue with bonds between residues which I haven't fixed.
https://github.com/hits-mbm-dev/kimmdy/blob/8e9c383b4075ddf9c271d047ee7dcd8ae46395d3/www/colbuilder_files/change_crosslink_atom_names.py#L3
@ehhartmann I missed this in the review. Where is
functions_v4
coming from? Those two functions sound like they could be utils in kimmdy instead.The text was updated successfully, but these errors were encountered: