Mercurial > repos > tduigou > retrosynthesis_workflow

annotate retrosynthesis_workflow.ga @ 0:5aa8c015b750 draft

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"planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
author tduigou
date Thu, 02 Dec 2021 14:11:13 +0000
parents
children e5803ef59eb6
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118 "type": "parameter_input",
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119 "uuid": "95271805-5e3f-40d4-b262-f162cbb790eb",
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120 "workflow_outputs": [
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121 {
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122 "label": null,
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123 "output_name": "output",
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124 "uuid": "ce569b93-19c3-4ea7-bbeb-824d8416bd80"
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125 }
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126 ]
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127 },
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128 "3": {
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129 "annotation": "",
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130 "content_id": "toolshed.g2.bx.psu.edu/repos/tduigou/rpextractsink/rpExtractSink/5.9.2",
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134 "input": {
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136 "output_name": "output"
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137 }
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138 },
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139 "inputs": [],
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140 "label": null,
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141 "name": "Sink from SBML",
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142 "outputs": [
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143 {
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144 "name": "sink",
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145 "type": "csv"
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146 }
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147 ],
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148 "position": {
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149 "bottom": 570.6999969482422,
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150 "height": 93.19999694824219,
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154 "width": 200,
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157 },
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158 "post_job_actions": {},
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159 "tool_id": "toolshed.g2.bx.psu.edu/repos/tduigou/rpextractsink/rpExtractSink/5.9.2",
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160 "tool_shed_repository": {
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161 "changeset_revision": "f664f3c3aca8",
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162 "name": "rpextractsink",
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163 "owner": "tduigou",
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164 "tool_shed": "toolshed.g2.bx.psu.edu"
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165 },
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166 "tool_state": "{\"adv\": {\"compartment_id\": \"MNXC3\"}, \"input\": {\"__class__\": \"ConnectedValue\"}, \"remove_dead_end\": \"true\", \"__page__\": null, \"__rerun_remap_job_id__\": null}",
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167 "tool_version": null,
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168 "type": "tool",
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169 "uuid": "b8c49635-e74d-41d6-b1ee-7881087039c9",
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170 "workflow_outputs": [
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171 {
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172 "label": null,
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173 "output_name": "sink",
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174 "uuid": "9398d924-57ce-4b29-924c-db2baec7f913"
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175 }
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176 ]
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177 },
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178 "4": {
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179 "annotation": "",
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180 "content_id": "toolshed.g2.bx.psu.edu/repos/tduigou/retropath2/retropath2/2.0.4",
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181 "errors": null,
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183 "input_connections": {
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184 "rulesfile": {
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185 "id": 1,
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186 "output_name": "out_rules"
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187 },
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188 "sinkfile": {
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189 "id": 3,
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190 "output_name": "sink"
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191 },
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192 "source_inchi": {
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193 "id": 2,
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194 "output_name": "output"
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195 }
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196 },
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197 "inputs": [
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198 {
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199 "description": "runtime parameter for tool RetroPath2.0",
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200 "name": "rulesfile"
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201 },
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202 {
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203 "description": "runtime parameter for tool RetroPath2.0",
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204 "name": "sinkfile"
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205 }
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206 ],
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207 "label": null,
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208 "name": "RetroPath2.0",
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209 "outputs": [
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210 {
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211 "name": "Reaction_Network",
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212 "type": "csv"
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213 }
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214 ],
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215 "position": {
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216 "bottom": 504.5,
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217 "height": 154,
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219 "right": 994.5,
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221 "width": 200,
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224 },
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225 "post_job_actions": {},
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226 "tool_id": "toolshed.g2.bx.psu.edu/repos/tduigou/retropath2/retropath2/2.0.4",
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227 "tool_shed_repository": {
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228 "changeset_revision": "6cdbb534cbca",
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229 "name": "retropath2",
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230 "owner": "tduigou",
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231 "tool_shed": "toolshed.g2.bx.psu.edu"
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232 },
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233 "tool_state": "{\"adv\": {\"max_steps\": \"3\", \"topx\": \"100\", \"dmin\": \"0\", \"dmax\": \"1000\", \"mwmax_source\": \"1000\", \"mwmax_cof\": \"1000\", \"timeout\": \"60\"}, \"rulesfile\": {\"__class__\": \"RuntimeValue\"}, \"sinkfile\": {\"__class__\": \"RuntimeValue\"}, \"source_inchi\": {\"__class__\": \"ConnectedValue\"}, \"source_name\": \"target\", \"__page__\": null, \"__rerun_remap_job_id__\": null}",
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353 },
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354 "tool_state": "{\"adv\": {\"max_subpaths_filter\": \"10\", \"upper_flux_bound\": \"999999\", \"lower_flux_bound\": \"0\"}, \"rp2_pathways\": {\"__class__\": \"ConnectedValue\"}, \"rp2paths_compounds\": {\"__class__\": \"ConnectedValue\"}, \"rp2paths_pathways\": {\"__class__\": \"ConnectedValue\"}, \"sink\": {\"__class__\": \"ConnectedValue\"}, \"__page__\": null, \"__rerun_remap_job_id__\": null}",
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355 "tool_version": null,
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356 "type": "tool",
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357 "uuid": "bfc32617-1870-4240-8cf6-ea93da840007",
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358 "workflow_outputs": [
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359 {
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360 "label": "Complete Reactions",
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361 "output_name": "pathways",
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362 "uuid": "b77df22c-2b09-4787-8762-18f3fd748aea"
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363 }
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364 ]
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365 }
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366 },
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367 "tags": [],
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368 "uuid": "a8283850-4dcb-4bd9-a11e-507bf58e8b4b",
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369 "version": 8
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370 }