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weria-pezeshkian / TS2CG1.2

TS2CG version 1.2
GNU General Public License v3.0
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multiple protein placement #17

Open TommyBiomodelling opened 4 hours ago

TommyBiomodelling commented 4 hours ago

hello I am trying to insert multiple proteins into a vesicle, but I get a strange error from the point folder saying that I am missing " error: file with file name ./point/OuterBM.dat does not exist" I find this very strange, how do I make this file and why is it not generated when i use TS2CG? Best wishes, Tommy

fabianschuhmann commented 2 hours ago

Hi Tommy, please let me know what branch you are on, as the protein placement is being enhanced at the moment and is in a quite buggy state still.

The error could already come beforehand though. The point folder needs to exist. You could, for instance, create the point folder by running TS2CG PLM.

TommyBiomodelling commented 2 hours ago

I am currently constructing a workflow with FreeDTS to get the tsi file needed to make inclusions. The tsi+inclusions file I give to TS2CG PLM and then TS2CG PCG to coarse grain it. If by branch you mean version, I am using TS2CG version 1.2.2. I have two folders named "point" and "pointvisualization_data" but remain empty