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Send message Joined: 27 Feb 21 Posts: 4 Credit: 793 RAC: 0 |
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 [/img] |
Send message Joined: 11 Nov 20 Posts: 47 Credit: 83,493 RAC: 0 |
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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