mirror of
https://github.com/KosinskiLab/AlphaPulldown.git
synced 2026-06-04 14:14:24 +08:00
fc41c1a5eb
- Strip _entity_poly_seq from generated template mmCIF so AF3 reconstructs _pdbx_poly_seq_scheme from _atom_site, avoiding UNK/gap mismatches - Build query_to_template_map using only residues with atoms to prevent OOB indexing in template features - Add --debug_templates flag to optionally dump generated template mmCIFs into templates_debug/ - Keep templates enabled; test test__chopped_dimer now passes
37 lines
852 B
Bash
Executable File
37 lines
852 B
Bash
Executable File
#!/bin/sh
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#
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#
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AWK=gawk
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DIR=/home/dmolodenskiy/AlphaPulldown/conda/share/et
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usage="usage: $0 [ -d scriptDir ] [ --textdomain domain [ --localedir dir ] ]"
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usage="$usage inputfile.et"
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TEXTDOMAIN=
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LOCALEDIR=
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while [ $# -ge 2 ]; do
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if [ "$1" = "-d" ]; then
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DIR=$2; shift; shift
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elif [ "$1" = "--textdomain" ]; then
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TEXTDOMAIN=$2; shift; shift
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elif [ "$1" = "--localedir" ]; then
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LOCALEDIR=$2; shift; shift
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else
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echo $usage 1>&2 ; exit 1
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fi
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done
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# --localedir requires --textdomain.
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if [ $# -ne 1 -o \( -n "$LOCALEDIR" -a -z "$TEXTDOMAIN" \) ]; then
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echo $usage 1>&2 ; exit 1
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fi
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ROOT=`echo $1 | sed -e s/.et$//`
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BASE=`echo "$ROOT" | sed -e 's;.*/;;'`
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set -ex
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$AWK -f ${DIR}/et_h.awk "outfile=${BASE}.h" "$ROOT.et"
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$AWK -f ${DIR}/et_c.awk "outfile=${BASE}.c" "textdomain=$TEXTDOMAIN" \
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"localedir=$LOCALEDIR" "$ROOT.et"
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