galaxycomputationalchemistry / galaxy-tools-compchem

:mega: Galaxy Tools for Computational Chemistry
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made important changes to both trjcat and trjconv #148

Closed thepineapplepirate closed 1 year ago

thepineapplepirate commented 2 years ago

Changed trjcat to ensure proper selection of input trajectories and their ordering for concatating. Added "-skip" command to trjconv to allow users to compress trajectory files by reducing the amount of frames written out, as well as a new test and test output file for this.