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molenc_std.py: add --no-taut CLI option
enhancement
New feature or request
prio 01
#143
opened Apr 5, 2024 by
UnixJunkie
phase out molenc.sh; once molenc_AP is ready and battle tested
prio 02
#138
opened Nov 30, 2023 by
UnixJunkie
molenc_ph4.py: drop transparency from bild files
enhancement
New feature or request
prio 01
#123
opened Sep 9, 2022 by
UnixJunkie
consider smi2sdf3d for confgen in molenc_ligprep.sh
enhancement
New feature or request
prio 02
#119
opened May 31, 2022 by
UnixJunkie
consider Dimorphite-DL for protonation in molenc_ligprep.sh
enhancement
New feature or request
prio 02
#118
opened May 31, 2022 by
UnixJunkie
molenc_ap: do not warn in case feature has radius higher than max radius
enhancement
New feature or request
prio 02
#99
opened Sep 16, 2020 by
UnixJunkie
lizard: specify on the CLI which descriptors to compute
prio 03
#95
opened Sep 7, 2020 by
UnixJunkie
ProTip!
What’s not been updated in a month: updated:<2024-07-17.