Scripts in Domino. cd to folder “TheriakDomino.../Calgary2010.../MSPG” (includes THERIN and JUN92.bs) THERIN: 500 2000 1 SI(160)AL(60)NA(10)K(10)H(100)O(?)

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Presentation transcript:

Scripts in Domino

cd to folder “TheriakDomino.../Calgary /MSPG” (includes THERIN and JUN92.bs) THERIN: SI(160)AL(60)NA(10)K(10)H(100)O(?) * 0 SI(160)AL(60)NA(20)H(100)O(?) * 0 SI(160)AL(60)K(20)H(100)O(?) * Start domino

Scripts in Domino

database definition Enter [ "?" | CR | "files" | "script" | database filename ] ? script

Scripts in Domino database definition Enter [ "?" | CR | "files" | "script" | database filename ] ? script DOMINO SCRIPTING JOB filename: domjob Enter [ "?" | CR | new JOB filename ] ?

SCRIPT filename: script_001.txt Enter [ "?" | CR | "end" | new SCRIPT filename ] ? Enter [ CR | database filename ] : Scripts in Domino X-axisTC Y-axisP calculation type. labeling of reactions1

SCRIPT filename: script_002.txt Enter [ "?" | CR | "end" | new SCRIPT filename ] ? Enter [ CR | database filename ] : Scripts in Domino X-axisTC Y-axisP calculation typeWHITE MICA Ms labeling of reactions1

SCRIPT filename: script_003.txt Enter [ "?" | CR | "end" | new SCRIPT filename ] ? Enter [ CR | database filename ] : Scripts in Domino X-axisTC Y-axisP calculation typeWHITE MICA Ms labeling of reactions1

SCRIPT filename: script_004.txt Enter [ "?" | CR | "end" | new SCRIPT filename ] ? Enter [ CR | database filename ] : Scripts in Domino X-axisBIN 0 1 Y-axisTC Pressure3000 calculation type. labeling of reactions1

SCRIPT filename: script_005.txt Enter [ "?" | CR | "end" | new SCRIPT filename ] ? Enter [ CR | database filename ] : Scripts in Domino X-axisLNA(Co) -5 5 Y-axisLNA(aQz) -5 5 Temperature500 Pressure3000 calculation type. labeling of reactions1

SCRIPT filename: script_006.txt Enter [ "?" | CR | "end" | new SCRIPT filename ] ? end Scripts in Domino domjob chmod a+x domjob If you cannot convince them, confuse them. (Harry S Truman)

script.script_001.txt script_001.plt JUN92.bs E E E E SI(160)AL(60)NA(10)K(10)H(100)O(?) * TC P E E+00 _script_001_pix/ script_001.txt script.script_005.txt script_005.plt JUN92.bs E E E E SI(160)AL(60)NA(10)K(10)H(100)O(?) * LNA(Co) -5 5 LNA(aQz) E E+04 _script_005_pix/ script_005.txt Scripts in Domino

domino script_001.txt guzzler script_001.plt script_001.cln script_001.rxn explot script_001.cln script_001.ps domino script_002.txt guzzler script_002.plt script_002.cln script_002.rxn explot script_002.cln script_002.ps domino script_003.txt guzzler script_003.plt script_003.cln script_003.rxn explot script_003.cln script_003.ps domino script_004.txt guzzler script_004.plt script_004.cln script_004.rxn explot script_004.cln script_004.ps domino script_005.txt guzzler script_005.plt script_005.cln script_005.rxn explot script_005.cln script_005.ps domjob

Scripts in Domino domjob domino script_001.txt guzzler script_001.plt script_001.cln script_001.rxn explot script_001.cln script_001.ps domino script_002.txt guzzler script_002.plt script_002.cln script_002.rxn explot script_002.cln script_002.ps domino script_003.txt guzzler script_003.plt script_003.cln script_003.rxn explot script_003.cln script_003.ps domino script_004.txt guzzler script_004.plt script_004.cln script_004.rxn explot script_004.cln script_004.ps domino script_005.txt guzzler script_005.plt script_005.cln script_005.rxn explot script_005.cln script_005.ps

Scripts in Domino script_001.ps

Scripts in Domino script_002.ps

Scripts in Domino script_003.ps

Scripts in Domino script_004.ps

Scripts in Domino script_005.ps