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problems with generating the params file

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problems with generating the params file
#1

I was preparing the ligand params file for docking. When I used the following command to generate params files, I always get the "Too many arguments!" error. 

​~/rosetta*/main/source/scripts/python/public/molfile_to_params.py \ -n XX -p XXX --conformers-in-one-file XXX.sdf 

How to fix this problem? Thank you in advance.

 

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Thu, 2017-09-28 13:34
dyu

I'm guessing it's the backslash. If you preceed a space with a backslash in the terminal, it's interpreted as a literal space rather than an options separator. This means you're attempting to pass the "filename" ' -n' (space|dash|n) to the script, rather than the option '-n' (dash|n). This results in the "too many arguments" error, as you have multiple "filenames" rather than the single one molfile_to_params.py expects.

The backslash is included in some example commandlines because if it's put at the very end of a line, it escapes the line ending, allowing you to put the command on multiple lines. If you retype the command as a single line, or copy-paste it into a single line, you should remove the backslash, as it's no longer needed.

Thu, 2017-09-28 13:43
rmoretti

Thank you so much. Problem solved! 

 

Thu, 2017-09-28 18:54
dyu