extract backbone from data file with ignore types

Great, thanks, I did that! Martin

Martin Kröger Prof Computational Polymer Physics, PD Dr habil website www.complexfluids.ethz.chhttp://www.complexfluids.ethz.ch

Swiss Federal Institute of Technology, ETH Zurich Leopold-Ruzicka-Weg 4, HCP F 48.2, CH-8093 ZURICH, Switzerland phone +41-44-632-6622 fax -1076

Google Scholar EUCO-BAAAAAJ ORCID 0000-0003-1402-6714 Scopus 56416643300

From: Eddy Barraud @.***> Sent: 11 July 2024 17:42:34 To: mkmat/Z1plus-code Cc: Subscribed Subject: [mkmat/Z1plus-code] extract backbone from data file with ignore types (Issue #3)

Hello, I suggest changing line 44 of the script extract_backbone.pl to :

if ($#ARGV > 0 && $ARGV[1] !~ qr/-ignore-types/) {

It allows to ignore types while just treating a data file without dump file Otherwise, it returns an error of missing file. Now I can run perl extract_backbone.pl topo.data -ignore-types=1,4,5,6

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mkmat / Z1plus-code

extract backbone from data file with ignore types #3