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Interface structure viewer highlights interface and distinguish chains
1 parent 6a35da8 commit bac6795

4 files changed

Lines changed: 253 additions & 114 deletions

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backend/worker.go

Lines changed: 6 additions & 11 deletions
Original file line numberDiff line numberDiff line change
@@ -955,15 +955,11 @@ mv -f -- "${BASE}/query.lookup_tmp" "${BASE}/query.lookup"
955955

956956
// Extract tkey column from .m8 and create subdbs for dimer coords
957957
for _, database := range job.Database {
958-
// RACHEL: check if we can skip this part
959-
// params, err := ReadParams(filepath.Join(config.Paths.Databases, database+".params"))
960-
// if err != nil {
961-
// return &JobExecutionError{err}
962-
// }
963-
// dbpath := filepath.Join(config.Paths.Databases, database)
964-
// if params.OverridePath != "" {
965-
// dbpath = filepath.Clean(params.OverridePath)
966-
// }
958+
m8Path := filepath.Join(resultBase, "alis_"+database+".m8")
959+
if info, statErr := os.Stat(m8Path); statErr != nil || info.Size() == 0 {
960+
// Skip dimer extraction if there were no hits
961+
continue
962+
}
967963

968964
err = execCommandSync(
969965
config.Verbose,
@@ -982,8 +978,7 @@ mv -f -- "${BASE}/query.lookup_tmp" "${BASE}/query.lookup"
982978
if err != nil {
983979
return &JobExecutionError{err}
984980
}
985-
// replace interfacedb_ prefix to dimerdb
986-
dimerdb := strings.Replace(database, "interfacedb_", "dimerdb_", 1)
981+
dimerdb := strings.Replace(database, "_interface", "_dimer", 1)
987982
dimerdbpath := filepath.Join(config.Paths.Databases, dimerdb)
988983

989984
err = execCommandSync(

frontend/InterfaceAlignmentPanel.vue

Lines changed: 3 additions & 24 deletions
Original file line numberDiff line numberDiff line change
@@ -270,39 +270,18 @@ export default {
270270

271271
<style scoped>
272272
.alignment-panel {
273-
display: inline-flex;
274-
flex-wrap: nowrap;
273+
display: flex;
275274
justify-content: center;
276275
width: 100%;
277276
}
278277
279278
.alignment-wrapper-outer {
280-
display: inline-flex;
281-
flex-direction: column;
282-
}
283-
284-
.alignment-wrapper-inner {
285-
padding-bottom: 1em;
286-
}
287-
288-
.alignment-structure-wrapper {
289-
min-width: 450px;
290-
margin: 0;
291-
margin-bottom: auto;
279+
display: none;
292280
}
293281
294282
@media screen and (max-width: 960px) {
295-
.alignment-wrapper-outer, .alignment-panel {
296-
display: flex;
297-
}
298-
.alignment-panel {
299-
flex-direction: column-reverse;
300-
}
301283
.alignment-structure-wrapper {
302-
padding-bottom: 1em;
303-
}
304-
.alignment-wrapper-outer, .alignment-structure-wrapper {
305-
align-self: center;
284+
width: 100%;
306285
}
307286
}
308287

frontend/ResultView.vue

Lines changed: 0 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -288,7 +288,6 @@ export default {
288288
}, 0)
289289
})
290290
this.selectedDatabases = this.onlyOne ? 1 : 0
291-
debugger
292291
}
293292
},
294293
immediate: false,

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