Open Luke-ebbis opened 2 months ago
Hi, are you able to download them from here? https://1drv.ms/u/s!AjjQVuMYxf5qgZkURaFW0fbrJqKECA?e=4ICiuD
Yes, I will check it and report on the issue
Op di 16 jul 2024 om 12:56 schreef spyda90 @.***>:
Hi, are you able to download them from here? https://1drv.ms/u/s!AjjQVuMYxf5qgZkURaFW0fbrJqKECA?e=4ICiuD
— Reply to this email directly, view it on GitHub https://github.com/zrqiao/NeuralPLexer/issues/49#issuecomment-2230605065, or unsubscribe https://github.com/notifications/unsubscribe-auth/AWVTJMAKBU37EIPW7J6EYDTZMT34ZAVCNFSM6AAAAABJQI4BC6VHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMZDEMZQGYYDKMBWGU . You are receiving this because you authored the thread.Message ID: @.***>
Description
I am attempting a prediction of the enolase dimer with its ligand 2PG by running these commands:
I am running these commands using a docker image build from the last
main
branch.I obtain a structure where the two dimer subunits show structural clashing that is extremely unrealistic (Table 1). The subunits show an almost complete overlap as can be seen in the contact map (Figure 1).
Table 1: Number of steric clashes
I feel that there is an issue with the generation process, and that the model does not advance beyond the initialization stage. Am I using the correct parameters for prediction? Can someone suggest better parameters?