From 3ca3e4d9dda1666f24ff3fea81e71cc15615e661 Mon Sep 17 00:00:00 2001 From: Gerardo Tauriello <gerardo.tauriello@unibas.ch> Date: Mon, 12 Aug 2019 18:50:20 +0200 Subject: [PATCH] Reduce width of molck usage code. --- modules/mol/alg/doc/molck.rst | 33 ++++++++++++++++++--------------- 1 file changed, 18 insertions(+), 15 deletions(-) diff --git a/modules/mol/alg/doc/molck.rst b/modules/mol/alg/doc/molck.rst index 1dfaf6add..7ffd414ae 100644 --- a/modules/mol/alg/doc/molck.rst +++ b/modules/mol/alg/doc/molck.rst @@ -1,3 +1,6 @@ +.. Note on large code blocks: keep max. width to 100 or it will look bad + on webpage! + ========================= Molecular Checker (Molck) ========================= @@ -37,23 +40,23 @@ please find them following: .. code-block:: bash usage: molck [options] file1.pdb [file2.pdb [...]] - options - --complib=path location of the compound library file. If not provided, the - following locations are searched in this order: - 1. Working directory, - 2. OpenStructure standard library location (if the - executable is part of a standard OpenStructure installation) + options + --complib=path location of the compound library file. If not provided, the + following locations are searched in this order: + 1. Working directory, + 2. OpenStructure standard library location (if the + executable is part of a standard OpenStructure installation) --rm=<a>,<b> remove atoms and residues matching some criteria: - - zeroocc - Remove atoms with zero occupancy - - hyd - Remove hydrogen atoms - - oxt - Remove terminal oxygens - - nonstd - Remove all residues not one of the 20 standard amino acids - - unk - Remove unknown and atoms not following the nomenclature + - zeroocc - Remove atoms with zero occupancy + - hyd - Remove hydrogen atoms + - oxt - Remove terminal oxygens + - nonstd - Remove all residues not one of the 20 standard amino acids + - unk - Remove unknown and atoms not following the nomenclature --fix-ele clean up element column - --stdout write cleaned file(s) to stdout - --out=filename write cleaned file(s) to disk. % characters in the filename are - replaced with the basename of the input file without extension. - Default: %-molcked.pdb + --stdout write cleaned file(s) to stdout + --out=filename write cleaned file(s) to disk. % characters in the filename are + replaced with the basename of the input file without extension. + Default: %-molcked.pdb --color=auto|on|off whether output should be colored --map-nonstd maps modified residues back to the parent amino acid, for example MSE -> MET, SEP -> SER. -- GitLab