33Introduction
44============
55
6- ` Reaction Decoder Tool (RDT) v3.5 .0 `
6+ ` Reaction Decoder Tool (RDT) v3.6 .0 `
77--------------------------------------
88
99** Toolkit-agnostic reaction mapping engine** with CDK adapter. Deterministic, no training data required.
@@ -111,7 +111,7 @@ The package namespace has changed from `uk.ac.ebi` to `com.bioinceptionlabs` in
111111<!-- Old (v2.x) -->
112112<groupId >uk.ac.ebi.rdt</groupId >
113113
114- <!-- New (v3.5 .0+) -->
114+ <!-- New (v3.6 .0+) -->
115115<groupId >com.bioinceptionlabs</groupId >
116116```
117117
@@ -185,7 +185,7 @@ Sub-commands
185185` AAM using SMILES `
186186
187187 ```
188- java -jar rdt-3.5 .0-jar-with-dependencies.jar -Q SMI -q "CC(O)CC(=O)OC(C)CC(O)=O.O[H]>>[H]OC(=O)CC(C)O.CC(O)CC(O)=O" -g -c -j AAM -f TEXT
188+ java -jar rdt-3.6 .0-jar-with-dependencies.jar -Q SMI -q "CC(O)CC(=O)OC(C)CC(O)=O.O[H]>>[H]OC(=O)CC(C)O.CC(O)CC(O)=O" -g -c -j AAM -f TEXT
189189 ```
190190
191191` Perform AAM ` for Transporters
@@ -194,14 +194,14 @@ Sub-commands
194194` AAM using SMILES ` (accept mapping with no bond changes -b)
195195
196196 ```
197- java -jar rdt-3.5 .0-jar-with-dependencies.jar -Q SMI -q "O=C(O)C(N)CC(=O)N.O=C(O)C(N)CS>>C(N)(CC(=O)N)C(=O)O.O=C(O)C(N)CS" -b -g -c -j AAM -f TEXT
197+ java -jar rdt-3.6 .0-jar-with-dependencies.jar -Q SMI -q "O=C(O)C(N)CC(=O)N.O=C(O)C(N)CS>>C(N)(CC(=O)N)C(=O)O.O=C(O)C(N)CS" -b -g -c -j AAM -f TEXT
198198 ```
199199
200200` Annotate Reaction using SMILES `
201201---------------------------------
202202
203203 ```
204- java -jar rdt-3.5 .0-jar-with-dependencies.jar -Q SMI -q "CC(O)CC(=O)OC(C)CC(O)=O.O[H]>>[H]OC(=O)CC(C)O.CC(O)CC(O)=O" -g -c -j ANNOTATE -f XML
204+ java -jar rdt-3.6 .0-jar-with-dependencies.jar -Q SMI -q "CC(O)CC(=O)OC(C)CC(O)=O.O[H]>>[H]OC(=O)CC(C)O.CC(O)CC(O)=O" -g -c -j ANNOTATE -f XML
205205 ```
206206
207207
@@ -211,12 +211,12 @@ Sub-commands
211211` Compare Reactions using SMILES with precomputed AAM mappings `
212212
213213 ```
214- java -jar rdt-3.5 .0-jar-with-dependencies.jar -Q RXN -q example/ReactionDecoder_mapped.rxn -T RXN -t example/ReactionDecoder_mapped.rxn -j COMPARE -f BOTH -u
214+ java -jar rdt-3.6 .0-jar-with-dependencies.jar -Q RXN -q example/ReactionDecoder_mapped.rxn -T RXN -t example/ReactionDecoder_mapped.rxn -j COMPARE -f BOTH -u
215215 ```
216216
217217
218218` Compare Reactions using RXN files `
219219
220220 ```
221- java -jar rdt-3.5 .0-jar-with-dependencies.jar -Q RXN -q example/ReactionDecoder_mapped.rxn -T RXN -t example/ReactionDecoder_mapped.rxn -j COMPARE -f BOTH
221+ java -jar rdt-3.6 .0-jar-with-dependencies.jar -Q RXN -q example/ReactionDecoder_mapped.rxn -T RXN -t example/ReactionDecoder_mapped.rxn -j COMPARE -f BOTH
222222 ```
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