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<p>abc</p> <p><b>New page</b></p><div>Like ABC (Analog-by-catalog) this is ABBBR (Analog by Building Block Reactions or AB3R. <br /> <br /> == Instructions from Jose ==<br /> <br /> code is at<br /> /nfs/home/jcastanon/Synt-On/<br /> <br /> The server can run on a screen, here are sample commands. Please submit absolute paths for input and output.<br /> $ screen -s new_synthons-3000<br /> $ source /nfs/soft2/anaconda3/bin/activate SynthI-env<br /> $ python SyntOn-server.py 3000 /mnt/nfs/exa/work/ak87/UCSF/SynthI/20220508-SynthI-ANALOGS/new_synthons.smi<br /> The dictionary will load, then the screen can be detached. <br /> <br /> For the client, these are the commands:<br /> <br /> $ source /nfs/soft2/anaconda3/bin/activate SynthI-env<br /> $ python SyntOn-client.py 3000 analog /mnt/nfs/exa/work/ak87/UCSF/SynthI/20220508-SynthI-ANALOGS/ligand.smi /nfs/home/jcastanon/output<br /> <br /> The server command is formatted like so:<br /> python SyntOn-server.py $PORT $SYNTHONFILEPATH<br /> <br /> The client command: <br /> python SyntOn-client.py $PORT $INPUT $OUTPATH<br /> <br /> Most of the arguments are hardcoded in the server. Let me know if you run into any issues, just a quick prototype for now. <br /> <br /> <br /> [[Category:Analogs]]</div>

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