[Dock-fans] How to Use RMSD command from DOCK5
shuxing at bioanalysis.org
Thu Oct 13 14:52:14 PDT 2005
Dear DOCK experts:
I was trying to use RMSD accessory command from DOCK5 to calculate the RMSD
between multiple ligands and a reference ligand but failed. Does any one
happen to know the format of the second file (the comparison file)? Based on
the information provided for RMSD command, I concatenated multiple pdb files
into one file and then used it as the second file. The error is like the
"Error! Atom count discrepancy: 30 120".
I have 4 ligands in the second file.
If you could let me know how to solve the problem, I would highly appreciate
Thank you very much!
King Zhang, Ph.D
Building 244, Rm 116
Biotechnology HPC Application Institute
Fort Detrick, MD 21702
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