i2bc / SURFMAP

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Decision to use nawk #4

Closed maflister closed 1 year ago

maflister commented 1 year ago

Hello,

I wanted to know if you chose nawk for a specific feature, or if gawk, mawk, etc. will produce the same result. I.e., is there a nawk specific feature or is it just the version of awk you had on your system during development?

Thanks!

nchenche commented 1 year ago

Hello Matt,

The use of nawk does not rely on us, developers of SURFMAP, but rather on the M. Sanner team who developed MSMS, a program used by (and included in) SURFMAP. However, to answer your question, I don't think there is any specific feature that would make the use of nawk mandatory.

Nawk is used in MSMS by a script called pdb_to_xyzr. I've just made a test after having edited this file in which I replaced nawk with awk. After this change I run the following command ./pdb_to_xyzr 1crn.pdb which gave me the same output I obtained with nawk.

To recap, you can try to use awk if you want. You'll need to edit the file pdb_to_xyzr located in the MSMS directory (present at the root repository of SURFMAP) and then replace nawk with awk.

Hope this will help.

PS: I haven't tried with another awk version (differences between some awk versions are accessible here