diff --git a/tools/rptools/macros.xml b/tools/rptools/macros.xml index 9ac9d279..36127303 100644 --- a/tools/rptools/macros.xml +++ b/tools/rptools/macros.xml @@ -1,5 +1,5 @@ - 6.4.1 + 6.5.0 0 diff --git a/tools/rptools/rpcompletion.xml b/tools/rptools/rpcompletion.xml index b0ddc496..52697a99 100644 --- a/tools/rptools/rpcompletion.xml +++ b/tools/rptools/rpcompletion.xml @@ -4,21 +4,20 @@ macros.xml - - - - @@ -39,18 +38,18 @@ - - - + + + `_ with the appropriate cofactors. Creates sub-paths when multiple reaction rules are associated with a single reaction. Input is a single pathways file produced by RP2Paths. It stands on rpCache which store pre-computed data. +Completes mono-component reactions output by RetroPath2.0 (10.1016/j.ymben.2017.12.002) with the appropriate cofactors. Creates sub-paths when multiple reaction rules are associated with a single reaction. Input is a single pathways file produced by RP2Paths. It stands on rpCache which store pre-computed data. Input ----- diff --git a/tools/rptools/rpextractsink.xml b/tools/rptools/rpextractsink.xml index 2f09798f..7e4d424a 100644 --- a/tools/rptools/rpextractsink.xml +++ b/tools/rptools/rpextractsink.xml @@ -37,8 +37,8 @@ `_ to finish metabolic route exploration. This tool uses an SBML (Systems Biology Markup Language) file of the desired chassis organism, parses all the molecules within a specified compartment (example: cytosol, Golgi apparatus, nucleus, etc) and uses its MIRIAM (Minimal Information Requested In the Annotation of Models) annotation to find their InChI (International Chemical Identifier) structures. In *Advanced Options*, You can use *Remove dead-end metabolites using FVA evaluation?* to conduct Flux Variability Analysis to remove metabolites that lack the requisite flux that would account for their production or consumption within the metabolic network. diff --git a/tools/rptools/rpfba.xml b/tools/rptools/rpfba.xml index 93a86921..278217dd 100644 --- a/tools/rptools/rpfba.xml +++ b/tools/rptools/rpfba.xml @@ -15,8 +15,8 @@ #end if --objective_rxn_id '$objective_rxn_id' --sim '$input_sim_type.sim_type' - #if str($adv.ignore_orphan_species) == "true": - --ignore_orphan_species + #if str($adv.with_orphan_species) == "true": + --with_orphan_species #end if --log "error" #if str($input_sim_type.sim_type)=="fba" @@ -55,7 +55,7 @@
- +
@@ -119,8 +119,8 @@ diff --git a/tools/rptools/rpranker.xml b/tools/rptools/rpranker.xml index 8cd95d10..12b2d323 100644 --- a/tools/rptools/rpranker.xml +++ b/tools/rptools/rpranker.xml @@ -36,8 +36,8 @@ `_. +rpReport - Report for RetroPath +=============================== +Generates HTML pages to explore the main characteristics (thermodynamics, fluxes, number of metabolic steps, reaction rule score) of pathways predicted with RetroPath suite (10.1016/j.ymben.2017.12.002). Input ----- -Required: - * **Source SBML**: rpSBML file(s) containing pathways predicted with RetroPath suite. Output ------ -* **Pathways HTML Report**: Pathways HTML Report +* **Pathways HTML Report**: Pathways HTML Report. ]]> diff --git a/tools/rptools/rpscore.xml b/tools/rptools/rpscore.xml index b07ab288..1442e03e 100644 --- a/tools/rptools/rpscore.xml +++ b/tools/rptools/rpscore.xml @@ -26,8 +26,8 @@ `_ method. Thereafter this tool predicts the Gibbs free energy of reactions and of the whole heterologous pathway by combining the formation energy of each individual compound. The goal of the thermodynamic analysis is to estimate the feasibility of the predicted pathways toward target production, in physiological conditions (PH, ionic strength). diff --git a/tools/rptools/rpviz.xml b/tools/rptools/rpviz.xml index 690ec81d..e93b77bc 100644 --- a/tools/rptools/rpviz.xml +++ b/tools/rptools/rpviz.xml @@ -76,10 +76,10 @@ `_. +Visualize pathways from the RetroPath Suite (10.1016/j.ymben.2017.12.002). Input ----- diff --git a/tools/rptools/test-data/medium.fmt.a.csv b/tools/rptools/test-data/medium.fmt.a.csv deleted file mode 100644 index 253cf0a0..00000000 --- a/tools/rptools/test-data/medium.fmt.a.csv +++ /dev/null @@ -1,3 +0,0 @@ -compound_id,compound_annotation,compound_group,upper_bound,medium_name -MNXM9,pi,ion,1000,m9 -MNXM196,fe3,ion,1000,m9 diff --git a/tools/rptools/test-data/minimal_medium.csv b/tools/rptools/test-data/minimal_medium.csv deleted file mode 100644 index 0b44af73..00000000 --- a/tools/rptools/test-data/minimal_medium.csv +++ /dev/null @@ -1 +0,0 @@ -,minimize_flux,minimize_component