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Krascovict

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Message 624 - Posted: 28 Feb 2021, 5:03:49 UTC

I am a layman on the subject, but I was combing the files that were downloaded before the BIONC performed the terafas and wanted to know what those files are ...

and there was a special file that I think is about the genetic sequence of the gene being studied "corona_RdRp_v1" (I may be engineered)

I will attach the prints ...

I just want to have a direction of are these lines ...


I thank you for your understanding ...

FILE: corona_RdRp_v1.mol2



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Crtomir
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Message 625 - Posted: 28 Feb 2021, 9:20:10 UTC - in response to Message 624.  

The file with extension .mol2 carries structural information of the protein (targets), while .sdf files are for ligands, in one sdf file you can find many ligands separated by $$$$.

Yes, you can produce mutants but it is not so simple, the best way to do this is using SWISSMODEL https://swissmodel.expasy.org/, you need sequence of the protein written in fasta and the template in pdb for example ( https://www.rcsb.org/structure/6M71 ).
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