Recently, I tried to use Chroma to re-design some interface residues between two different subunits. I used the command as following that:
from chroma import Protein, Chroma
chroma = Chroma()
protein = Protein('test.pdb', device='cuda:0')
protein = chroma.design(protein, design_selection="chain A and resid 241+242+243+245+270+271+272+273+274+275+276+277+278+282+283+284+285+286+287+288+310+311+325+326+327+328+329")
protein.to("redesign.pdb")
Here is just an example I tried to go through the tutorial practice in another way. There wasn't any error it complained. However, the redesign.pdb had shown that in the Chain B, there also had been re-designed at the same position as Chain A. So, How do I modify the selection sentence or commands to change this situation. Redesign Chain B isn't my expectation. Please help me, Thanks so much.
Hi Chroma user and experts,
Recently, I tried to use Chroma to re-design some interface residues between two different subunits. I used the command as following that:
from chroma import Protein, Chroma chroma = Chroma() protein = Protein('test.pdb', device='cuda:0') protein = chroma.design(protein, design_selection="chain A and resid 241+242+243+245+270+271+272+273+274+275+276+277+278+282+283+284+285+286+287+288+310+311+325+326+327+328+329") protein.to("redesign.pdb")
Here is just an example I tried to go through the tutorial practice in another way. There wasn't any error it complained. However, the redesign.pdb had shown that in the Chain B, there also had been re-designed at the same position as Chain A. So, How do I modify the selection sentence or commands to change this situation. Redesign Chain B isn't my expectation. Please help me, Thanks so much.
Best regards, Ning