I've got some PDB files that I have converted from a GROMACS structure and trajectory file that has resName values with 4 characters in them, but the houdini PDB import strips that back to 3 characters. Is there a way to get Houdini to give me the full 4 characters with the default importer? There are some different residues that end up looking the same when shortened to 3 characters.
I've created a python importer for both the gromacs structre & trajectory files to import directly which gives me the 4 characters, but running through python and MDAnalysis is ridiculously slow, as is the python importer for PDB that I made. The python importer for PDB that I made shows 4 characters too, but as mentioned is very slow.
PDB importer shortening resName
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- lricho
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- johnmather
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Four character residue names are non-standard - according to the specification, the residue name is three characters long. Unfortunately there currently isn't a way to import data with four characters.
Perhaps you can massage your data into a format where your four character names are mapped to a unique three character name?
https://www.cgl.ucsf.edu/chimera/docs/UsersGuide/tutorials/pdbintro.html [www.cgl.ucsf.edu]
Perhaps you can massage your data into a format where your four character names are mapped to a unique three character name?
https://www.cgl.ucsf.edu/chimera/docs/UsersGuide/tutorials/pdbintro.html [www.cgl.ucsf.edu]
Edited by johnmather - June 20, 2025 12:35:32
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- lricho
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