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MD simulations / Base stacking from x3dna_ensemble
« on: December 08, 2012, 12:46:36 pm »
Dear Dr. Lu,
I used x3dna_ensemble Ruby script to obtain base stacking information from a PDB MODEL/ENDMDL ensemble (for B-DNA conformation). Although the temp_model.out have information about origin and mean normal vector of each base-pair, but unfortunately the ensemble output does not contain such information. Could you please provide me a solution for this problem?
Many thank,
Ali
I used x3dna_ensemble Ruby script to obtain base stacking information from a PDB MODEL/ENDMDL ensemble (for B-DNA conformation). Although the temp_model.out have information about origin and mean normal vector of each base-pair, but unfortunately the ensemble output does not contain such information. Could you please provide me a solution for this problem?
Many thank,
Ali