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Catchup to changed arguments of haddock3-re
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sverhoeven committed Nov 3, 2023
1 parent 4cac5e4 commit 46cc790
Showing 1 changed file with 14 additions and 10 deletions.
24 changes: 14 additions & 10 deletions config-haddock3.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -60,7 +60,8 @@ interactive_applications:
reclustrmsd:
command: >
haddock3-re clustrmsd
--n_clusters $n_clusters --distance $distance --threshold $threshold
--criterion $criterion
--n_clusters $n_clusters --clust_cutoff $clust_cutoff --min_population $min_population
$clustrmsd_dir
description: Recluster a HADDOCK run with RSMD and different parameters.
input:
Expand All @@ -69,22 +70,25 @@ interactive_applications:
properties:
clustrmsd_dir:
type: string
distance:
criterion:
type: string
clust_cutoff:
type: number
n_clusters:
type: number
threshold:
min_population:
type: number
required:
- clustrmsd_dir
- distance
- criterion
- clust_cutoff
- n_clusters
- threshold
- min_population
type: object
reclustfcc:
command: >
haddock3-re clustfcc
--fraction_cutoff $fraction_cutoff --strictness $strictness --threshold $threshold
--clust_cutoff $clust_cutoff --strictness $strictness --min_population $min_population
$clustfcc_dir
description: Recluster a HADDOCK run with FCC and different parameters.
input:
Expand All @@ -93,15 +97,15 @@ interactive_applications:
properties:
clustfcc_dir:
type: string
fraction_cutoff:
clust_cutoff:
type: number
strictness:
type: number
threshold:
min_population:
type: number
required:
- clustfcc_dir
- fraction_cutoff
- clust_cutoff
- strictness
- threshold
- min_population
type: object

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