alignment in ChimeraX command line
import os
from chimerax.core.commands import run
target = r"E:/CLUSTERwork/PIEZO1_EVO/regionSearch/query4regions/blade1_1304.pdb"
inputFolder = r"E:/CLUSTERwork/PIEZO1_EVO/regionSearch/foldseekResults/chimeraX/bladePDB"
outputFolder = r"E:/CLUSTERwork/PIEZO1_EVO/regionSearch/foldseekResults/chimeraX/bladePDBaligned"
run(session, f'open "{target}"') # #1
for pdb_file in sorted(os.listdir(inputFolder)):
input_path = os.path.join(inputFolder, pdb_file)
output_path = os.path.join(outputFolder, pdb_file.replace(".pdb", "_aligned_CA.pdb"))
run(session, f'open "{input_path}"') # #2
run(session, 'mm #2@CA to #1@CA') # fit using only CA
run(session, 'select #2@CA') # keep only CA for saving
run(session, f'save "{output_path}" models #2 selectedOnly true')
run(session, 'close #2') # free memory
In chimeraX
runscript "E:/CLUSTERwork/PIEZO1_EVO/regionSearch/foldseekResults/chimeraX/chimeraX.py"