KEYError:Unknown distance key in pSet: C ;N take default bon length:1.5
-> I guess the lookup string should be: "C;N" instead?
No, that space was introduced by the system.out call...
The problem seems to be instead with how the IDs are created... it seems the system is pretty broken :/
For the user experience it is probably not that bad, as a default 1.5 Ångström bond length is taken in these situations...
This bug fix will not make 1.4.0, unless someone starts very actively hacking on this code base about now.
Note - builder3d
No, that space was introduced by the system.out call...
The problem seems to be instead with how the IDs are created... it seems the system is pretty broken :/
For the user experience it is probably not that bad, as a default 1.5 Ångström bond length is taken in these situations...
This bug fix will not make 1.4.0, unless someone starts very actively hacking on this code base about now.
Note - builder3d