Mercurial > repos > marcel > caddsuite_workflows
comparison IMGDock,_unparallelized.ga @ 1:e047a2629ecf
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author | marcel |
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date | Thu, 19 Jan 2012 11:33:05 -0500 |
parents | |
children | 39def4dc6718 |
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0:b17805005cc8 | 1:e047a2629ecf |
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1 { | |
2 "a_galaxy_workflow": "true", | |
3 "annotation": "", | |
4 "format-version": "0.1", | |
5 "name": "IMGDock, unparallelized", | |
6 "steps": { | |
7 "0": { | |
8 "annotation": "", | |
9 "id": 0, | |
10 "input_connections": {}, | |
11 "inputs": [ | |
12 { | |
13 "description": "", | |
14 "name": "Receptor" | |
15 } | |
16 ], | |
17 "name": "Input dataset", | |
18 "outputs": [], | |
19 "position": { | |
20 "left": 200, | |
21 "top": 132 | |
22 }, | |
23 "tool_errors": null, | |
24 "tool_id": null, | |
25 "tool_state": "{\"name\": \"Receptor\"}", | |
26 "tool_version": null, | |
27 "type": "data_input", | |
28 "user_outputs": [] | |
29 }, | |
30 "1": { | |
31 "annotation": "", | |
32 "id": 1, | |
33 "input_connections": {}, | |
34 "inputs": [ | |
35 { | |
36 "description": "", | |
37 "name": "Reference ligand" | |
38 } | |
39 ], | |
40 "name": "Input dataset", | |
41 "outputs": [], | |
42 "position": { | |
43 "left": 204, | |
44 "top": 209 | |
45 }, | |
46 "tool_errors": null, | |
47 "tool_id": null, | |
48 "tool_state": "{\"name\": \"Reference ligand\"}", | |
49 "tool_version": null, | |
50 "type": "data_input", | |
51 "user_outputs": [] | |
52 }, | |
53 "2": { | |
54 "annotation": "", | |
55 "id": 2, | |
56 "input_connections": {}, | |
57 "inputs": [ | |
58 { | |
59 "description": "", | |
60 "name": "ScoreGrid file" | |
61 } | |
62 ], | |
63 "name": "Input dataset", | |
64 "outputs": [], | |
65 "position": { | |
66 "left": 204, | |
67 "top": 296 | |
68 }, | |
69 "tool_errors": null, | |
70 "tool_id": null, | |
71 "tool_state": "{\"name\": \"ScoreGrid file\"}", | |
72 "tool_version": null, | |
73 "type": "data_input", | |
74 "user_outputs": [] | |
75 }, | |
76 "3": { | |
77 "annotation": "", | |
78 "id": 3, | |
79 "input_connections": {}, | |
80 "inputs": [ | |
81 { | |
82 "description": "", | |
83 "name": "Configuration file (optional)" | |
84 } | |
85 ], | |
86 "name": "Input dataset", | |
87 "outputs": [], | |
88 "position": { | |
89 "left": 203, | |
90 "top": 383 | |
91 }, | |
92 "tool_errors": null, | |
93 "tool_id": null, | |
94 "tool_state": "{\"name\": \"Configuration file (optional)\"}", | |
95 "tool_version": null, | |
96 "type": "data_input", | |
97 "user_outputs": [] | |
98 }, | |
99 "4": { | |
100 "annotation": "", | |
101 "id": 4, | |
102 "input_connections": {}, | |
103 "inputs": [], | |
104 "name": "Ligand3DGenerator", | |
105 "outputs": [ | |
106 { | |
107 "name": "o", | |
108 "type": "mol2/sdf/drf" | |
109 } | |
110 ], | |
111 "position": { | |
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113 "top": 373 | |
114 }, | |
115 "tool_errors": null, | |
116 "tool_id": "ligand3dgenerator", | |
117 "tool_state": "{\"i\": \"null\", \"rm\": \"\\\"False\\\"\", \"ph\": \"\\\"7.0\\\"\", \"__page__\": 0}", | |
118 "tool_version": "1.1", | |
119 "type": "tool", | |
120 "user_outputs": [] | |
121 }, | |
122 "5": { | |
123 "annotation": "", | |
124 "id": 5, | |
125 "input_connections": { | |
126 "i": { | |
127 "id": 4, | |
128 "output_name": "o" | |
129 } | |
130 }, | |
131 "inputs": [], | |
132 "name": "LigCheck", | |
133 "outputs": [ | |
134 { | |
135 "name": "o", | |
136 "type": "mol2/sdf/drf" | |
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138 ], | |
139 "position": { | |
140 "left": 654, | |
141 "top": 370 | |
142 }, | |
143 "tool_errors": null, | |
144 "tool_id": "ligcheck", | |
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146 "tool_version": "1.1", | |
147 "type": "tool", | |
148 "user_outputs": [] | |
149 }, | |
150 "6": { | |
151 "annotation": "", | |
152 "id": 6, | |
153 "input_connections": { | |
154 "grd": { | |
155 "id": 2, | |
156 "output_name": "output" | |
157 }, | |
158 "i": { | |
159 "id": 5, | |
160 "output_name": "o" | |
161 }, | |
162 "ini": { | |
163 "id": 3, | |
164 "output_name": "output" | |
165 }, | |
166 "rec": { | |
167 "id": 0, | |
168 "output_name": "output" | |
169 }, | |
170 "rl": { | |
171 "id": 1, | |
172 "output_name": "output" | |
173 } | |
174 }, | |
175 "inputs": [], | |
176 "name": "IMGDock", | |
177 "outputs": [ | |
178 { | |
179 "name": "o", | |
180 "type": "mol2/sdf/drf" | |
181 } | |
182 ], | |
183 "position": { | |
184 "left": 871, | |
185 "top": 368 | |
186 }, | |
187 "tool_errors": null, | |
188 "tool_id": "imeedydock", | |
189 "tool_state": "{\"__page__\": 0, \"i\": \"null\", \"grd\": \"null\", \"ini\": \"null\", \"rm\": \"\\\"True\\\"\", \"rl\": \"null\", \"rec\": \"null\"}", | |
190 "tool_version": "1.1", | |
191 "type": "tool", | |
192 "user_outputs": [] | |
193 }, | |
194 "7": { | |
195 "annotation": "", | |
196 "id": 7, | |
197 "input_connections": { | |
198 "series_i_0|i": { | |
199 "id": 6, | |
200 "output_name": "o" | |
201 } | |
202 }, | |
203 "inputs": [], | |
204 "name": "DockResultMerger", | |
205 "outputs": [ | |
206 { | |
207 "name": "o", | |
208 "type": "mol2/sdf/drf" | |
209 } | |
210 ], | |
211 "position": { | |
212 "left": 1095.5, | |
213 "top": 431 | |
214 }, | |
215 "tool_errors": null, | |
216 "tool_id": "dockresultmerger", | |
217 "tool_state": "{\"__page__\": 0, \"min\": \"\\\"\\\"\", \"max\": \"\\\"\\\"\", \"k\": \"\\\"\\\"\", \"score\": \"\\\"score\\\"\", \"series_i\": \"[{\\\"i\\\": null, \\\"__index__\\\": 0}]\", \"rm\": \"\\\"False\\\"\"}", | |
218 "tool_version": "1.1", | |
219 "type": "tool", | |
220 "user_outputs": [] | |
221 } | |
222 } | |
223 } |