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haddocking / pdb-tools

A dependency-free cross-platform swiss army knife for PDB files.
https://haddocking.github.io/pdb-tools/
Apache License 2.0
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What happened to the old `pdb_delocc` tool? #15

Closed amjjbonvin closed 5 years ago

amjjbonvin commented 5 years ago

In the previous version we had the pdb_delocc tool that was removing double occupancies, keeping only the first instance. Did we lost it?

We have been advertising in the HADDOCK forum as a solution for double occupancies that raise an error on the server.

mtrellet commented 5 years ago

I mentioned it in an answer (http://ask.bioexcel.eu/t/haddock-server-problem/591/5?u=mtrellet), it has been replaced by pdb_selaltloc.py.

amjjbonvin commented 5 years ago

OK - missed that one. We must then also check all our online tutorials since we must be advertising it at several locations

mtrellet commented 5 years ago

Indeed, I'll try to check my mentions to it in the forum and edit my answers when possible

JoaoRodrigues commented 5 years ago

I changed the names of a few tools in the new release to make them more obvious and to add some functionality. In the case of pdb_delocc, it became pdb_selaltloc to both be more obvious and also because I added the possibility of picking a specific altloc identifier. By default, it picks the one, for each atom, with the highest occupancy value.