3DRobot Decoys
Posted: Thu Feb 16, 2023 2:11 pm
Greetings,
I downloaded the 3DRobot package to generate decoys with the number of output decoys = 1000 and RMSD cutoff = 20, and the generation of the decoys worked. However, when I checked the output file, I found only 433 decoys with RMSD <=8.
I am wondering why the number of output decoys and their RMSD is less than what I specified in the parameters (Parameters: decoys = 1000 and RMSD cutoff = 20, and what I got 433 decoys with RMSD <=8 )! and how to generate thousands of decoys with RMSD cutoff = 20!
Your help would be much appreciated!
Thanks & Regards,
Maytha
I downloaded the 3DRobot package to generate decoys with the number of output decoys = 1000 and RMSD cutoff = 20, and the generation of the decoys worked. However, when I checked the output file, I found only 433 decoys with RMSD <=8.
I am wondering why the number of output decoys and their RMSD is less than what I specified in the parameters (Parameters: decoys = 1000 and RMSD cutoff = 20, and what I got 433 decoys with RMSD <=8 )! and how to generate thousands of decoys with RMSD cutoff = 20!
Your help would be much appreciated!
Thanks & Regards,
Maytha