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Releases: mmagnus/rna-tools

3.8.2

07 Feb 09:07
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Triplexiblity fixed (?) full atom works.

Full Changelog: 3.8.1...3.8.2

3.8.1

21 Jan 18:30
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Fix (?)* triplexibility

  • ok, not fixed by then

Full Changelog: 3.8...3.8.1

3.8 rna-tools.online

20 Jan 14:34
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Add a new interface to the rna-tools http://rna-tools.online to help in your modeling workflow. #124
Screenshot 2022-01-20 at 15 39 30

Lots of small fixes for that. Other areas of development: md / mq / web.

Full Changelog: 3.7.22...3.8

3.7.22

24 Nov 21:38
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rna_tools_lib: super fast --un-nmr! (not based on BioPython but on text processing) perfect for molecular dynamics ;-) quick and dirty analyses

    rna_pdb_toolsx.py --un-nmr AF-Q5TCX8-F1-model_v1_core_Ctrim_mdr_MD.pdb
    cat *MD_* > md.pdb

for benchmarks of MD

2lkr_short_mdr.pdb.zip

3.7.21

20 Nov 19:06
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sc 2021-11-20 at 19 37 00

  • mq/rna_mq_collect.py: --list-of-files for one script for all!
  • mq/rna_mq_wx_collect.py: massive mq_collect.py

3.7.20

14 Nov 22:05
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  • mq (mqapRNA):

    • farfar2 up tests
    • rna_mq_collect.py: if in ignored files error, run again
    • FARNA: fix headers, add -min for lores, add constant_seed, add system
    • FARNA: fix tests, on mac keep two rosettas!
  • md (molecule dynamics)

    • rename for rna_md.py

3.7.19

11 Nov 10:12
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  • df: utils, merge sets of dfs widewise
  • rna_calc_rmsd.py: add --name-rmsd-column
  • plotting/rna_plot_boxplotlike.py: add

3.7.18

08 Nov 21:44
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  • Update setup.py fix missing rna_tools/tools/md/rna_minimize.py

3.7.17

08 Nov 20:02
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  • rna_calc_rmsd.py: --way fix backbone etc.

3.7.16

07 Nov 07:55
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  • mqapRNA (mq):

    • add SimRNA
    • eSCORE fix, change baRNAba_PATH to baRNAba_data_PATH
    • FARFAR2: own config FARFAR2_PATH, FARFAR2_DB_PATH, FARFAR2_LORES #118
    • add farfar2 wrapper #118
    • change: rna_mq_collect.py & rna_mq_predict.py
  • rna_calc_rmsd.py: --way, backbone+sugar, c1p, backbone, no_backbone, bases, all

  • molecular dynamics (md)

  • wx (pipeline)

    • change pefx.py