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That worked! Thanks very much.

Thanks very much! It works great.
Is it possible to have it write to a new file, rather than overwrite the current file? I tried to modify the command trivially, but couldn't get anything to work....

I have a pdb file with the following format:

ATOM 11 N PRO A 1 23.223 20.197 14.441 1.00 12.21 N
ATOM 12 CA PRO A 1 21.881 20.749 14.227 1.00 11.37 ...

That worked perfectly. Very much appreciated!

I have a pbd file, which has the following format:


TITLE Protein X
MODEL 1
ATOM 1 N PRO 24 45.220 71.410 43.810 1.00 0.00
ATOM 2 H1 PRO 24...

Works great. I added the following to write to a separate file:

awk -f egy.awk Mymulti-mol2File > output.mol2

Much appreciated!

I am using OSX. I have a multi-mol2 file (text file with coordinates and info for several molecules). An example of two molecules in the file is given below for molecule1 and molecule 2. The total...