Synthesizing combinatorial libraries of materials

• US 6,507,945 B1
• Filed: 05/05/1999
• Issued: 01/14/2003
• Est. Priority Date: 05/05/1999
• Status: Expired due to Term

• Current Assignee: Freeslate Inc. (Unchained Labs Inc.)
• Original Assignee: Symyx Technologies Incorporated (Dassault Systemes SA)
• Inventors: Rust, William C., Nielsen, Ralph B.
• Primary Examiner(s): Morse, Gregory
• Assistant Examiner(s): Das, Chameli C.
• Application Number:
  US09/305,830
• Time in Patent Office: 1,350 Days
• Field of Search: 700/245, 700/248, 700/268, 700/266, 345/594, 717/100, 717/101, 717/104, 717/103, 717/108, 717/163, 717/164, 717/116, 717/1, 717/230, 707/10
• US Class Current: 717/103
• CPC Class Codes: B01J 19/0046 Sequential or parallel reactions, e.g. for the synthesis of polypeptides or polynucleotides; Apparatus and devices for combinatorial chemistry or for making molecular arrays synthesis methods per se C40B50/00
• CPC Class Codes: B01J 2219/00689 using computers
• CPC Class Codes: B01J 2219/00691 using robots
• CPC Class Codes: B01J 2219/00695 Synthesis control routines, e.g. using computer programs
• CPC Class Codes: G05B 19/0426 Programming the control sequence

Abstract

Methods and apparatus for controlling an automated material handling procedure. The method includes receiving a recipe file comprising component information and mapping information; interacting with a user to create a procedure for executing a set of material handling steps; and causing a automated material-handling apparatus to carry out the set of material-handling steps by executing the procedure. The mapping information relates a source component and a destination component. The mapping information defines one or more transfers of at least one source component material to at least one destination component location. The method includes providing to the user an assortment of pre-programmed code objects and receiving from the user a selection and arrangement of the pre-programmed code objects. The procedure is defined by the user'"'"'s selection and arrangement. The procedure contains at least one first pre-programmed code object operable to read and interpret the recipe file and at least one second pre-programmed code object operable to interpret a mapping read from the recipe file.

Claims

1. A computer program on a computer-readable medium for controlling a material-handling apparatus, the program comprising instructions operable to cause a programmable processor to:

provide an assortment of pre-programmed code objects, the assortment comprising a first pre-programmed code object operable to receive an input defining one or more source components, one or more destination components and one or more mappings, each source component representing one or more materials to be used in a process, each destination component representing one or more locations at which a process can be carried out, and each mapping relating a source component and a destination component and defining one or more transfers of at least one source component material to at least one destination component locations; and

receive from a user a selection and arrangement of pre-programmed code objects from the assortment, the selection defining a set of material processing steps and the arrangement defining an order of execution for the selected pre-programmed code objects.

2. The computer program of claim 1, wherein the first pre-programmed code object is operable to interact with a user to receive a mapping.

3. The computer program of claim 2, wherein the first pre-programmed code object is operable to interact with a user to associate the source component with one or more source locations and the destination component with a destination location comprising an access port of an analytical device.

4. The computer program of claim 1, wherein the input is a recipe file including library design information defining the source component, the destination component and the mapping, and wherein the material processing steps define a procedure for synthesizing a combinatorial library of materials.

5. The computer program of claim 4, wherein the mapping defines a gradient for distributing the source component materials among the destination locations.

6. The computer program of claim 4, wherein the first pre-programmed code object is operable to interact with a user to associate the source component with one or more source locations, each source location having a source component material, and the destination component with a plurality of destination locations corresponding to a plurality of members of the combinatorial library.

7. The computer program of claim 1, wherein the assortment includes at least one second pre-programmed code object operable to label a mapping for processing by at least one third pre-programmed code object to be executed subsequently in the arrangement.

8. The computer program of claim 1, wherein the arrangement comprises a logical hierarchy including a parent pre-programmed code object and at least one child pre-programmed code object.

9. The computer program of claim 8, wherein the parent pre-programmed code object is operable to define a condition determining whether the at least one child pre-programmed code object will be executed subsequently in the arrangement.

10. The computer program of claim 9, wherein the parent pre-programmed code object is operable to provide that the at least one child pre-programmed code object will be executed at least one time for each mapping defined by the input.

11. The computer program of claim 9, wherein the parent pre-programmed code object is operable to provide that the at least one child pre-programmed code object will be executed at least one time for each transfer defined by one of the one or more mappings.

12. The computer program of claim 9, wherein the condition is a “

for”

condition.

13. The computer program of claim 9, wherein the condition is a “

while”

condition.

14. The computer program of claim 9, wherein the condition is an “

if”

condition.

15. For use in a system including an automated material-handling apparatus for carrying out a set of material processing steps, a computer program on a computer-readable medium for controlling the automated material-handling apparatus, the program comprising instructions operable to cause a programmable processor to:

receive a recipe file comprising component information and mapping information, the mapping information relating a source component representing one or more materials to be used in a process and a destination component representing one or more locations at which a process can be carried out, and defining one or more transfers of at least one source component material to at least one destination component location;

interact with a user to create a procedure for executing the set of material processing steps, including instructions to provide to the user an assortment of pre-programmed code objects and receive from the user a selection and arrangement of the pre-programmed code objects, the procedure being defined by the user'"'"'s selection and arrangement; and

cause the automated material-handling apparatus to carry out the set of material processing steps by executing the procedure, wherein the procedure contains at least one first pre-programmed code object operable to read and interpret the recipe file and at least one second pre-programmed code object operable to interpret a mapping read from the recipe file.

16. The computer program of claim 15, further comprising instructions operable to cause a programmable processor to:

interact with a user to create a resource hierarchy including one or more resource objects defining at least one hardware device of the automated material-handling apparatus coupled to the programmable processor.

17. The computer program of claim 16, further comprising instructions operable to cause a programmable processor to:

interact with a user to create a system hierarchy including one or more system objects defining one or more robot arms coupled to the at least one hardware device of the automated material-handling apparatus.

18. The computer program of claim 16, further comprising instructions operable to cause a programmable processor to:

interact with a user to create a substrate hierarchy including one or more substrate objects defining a geometry for at least one substrate.

19. The computer program of claim 18, further comprising instructions operable to cause a programmable processor to:

interact with a user to create a one or more position objects for each substrate object in the substrate hierarchy.

20. The computer program of claim 18, wherein at least one substrate object corresponds to one or more source locations.

21. The computer program of claim 18, wherein at least one substrate object corresponds to one or more destination locations.

22. The computer program of claim 15, wherein:

execution of the procedure translates the component information and the mapping information to machine level commands for controlling the automated material-handling apparatus.

23. The computer program of claim 15, further comprising instructions operable to enable the user to modify the procedure during execution.

24. A computer-implemented method for controlling a material-handling apparatus, the method comprising:

providing an assortment of pre-programmed code objects, the assortment comprising a first pre-programmed code object operable to receive an input defining one or more source components, one or more destination components and one or more mappings, each source component representing one or more materials to be used in a process, each destination component representing one or more locations at which a process can be carried out, and each mapping relating a source component and a destination component and defining one or more transfers of at least one source component material to at least one destination component locations; and

receiving from a user a selection and arrangement of pre-programmed code objects from the assortment, the selection defining a set of material processing steps and the arrangement defining an order of execution for the selected pre-programmed code objects.

25. The method of claim 24, wherein the first pre-programmed code object is operable to interact with a user to receive a mapping.

26. The method of claim 25, wherein the first pre-programmed code object is operable to interact with a user to associate the source component with one or more source locations and the destination component with a destination location comprising an access port of an analytical device.

27. The method of claim 24, wherein the input is a recipe file including library design information defining the source component, the destination component and the mapping, and wherein the material processing steps define a procedure for synthesizing a combinatorial library of materials.

28. The method of claim 27, wherein the mapping defines a gradient for distributing the source component materials among the destination locations.

29. The method of claim 27, wherein the first pre-programmed code object is operable to interact with a user to associate the source component with one or more source locations, each source location having a source component material, and the destination component with a plurality of destination locations corresponding to a plurality of members of the combinatorial library.

30. The method of claim 24, wherein the assortment includes at least one second pre-programmed code object operable to label a mapping for processing by at least one third pre-programmed code object to be executed subsequently in the arrangement.

31. The method of claim 24, wherein the arrangement comprises a logical hierarchy including a parent pre-programmed code object and at least one child pre-programmed code object.

32. The method of claim 31, wherein the parent pre-programmed code object is operable to define a condition determining whether the at least one child pre-programmed code object will be executed subsequently in the arrangement.

33. The method of claim 32, wherein the parent pre-programmed code object is operable to provide that the at least one child pre-programmed code object will be executed at least one time for each mapping defined by the input.

34. The method of claim 32, wherein the parent pre-programmed code object is operable to provide that the at least one child pre-programmed code object will be executed at least one time for each transfer defined by one of the one or more mappings.

35. The method of claim 32, wherein the condition is a “

for”

condition.

36. The method of claim 32, wherein the condition is a “

while”

condition.

37. The method of claim 32, wherein the condition is an “

if”

condition.

38. A method of controlling an automated material-handling apparatus for executing a set of material processing steps, the method comprising:

receiving a recipe file comprising component information and mapping information, the mapping information relating a source component representing one or more materials to be used in a process and a destination component representing one or more locations at which a process can be carried out, and defining one or more transfers of at least one source component material to at least one destination component location;

interacting with a user to create a procedure for executing the set of material processing steps, the interacting comprising providing to the user an assortment of pre-programmed code objects and receiving from the user a selection and arrangement of the pre-programmed code objects, the procedure being defined by the user'"'"'s selection and arrangement; and

causing the automated material-handling apparatus to carry out the set of material processing steps by executing the procedure, wherein the procedure contains at least one first pre-programmed code object operable to read and interpret the recipe file and at least one second pre-programmed code object operable to interpret a mapping read from the recipe file.

39. The method of claim 38, further comprising:

interacting with a user to create a resource hierarchy including one or more resource objects defining at least one hardware device of the automated material-handling apparatus coupled to the programmable processor.

40. The method of claim 39, further comprising:

interacting with a user to create a system hierarchy including one or more system objects defining one or more robot arms coupled to the at least one hardware device of the automated material-handling apparatus.

41. The method of claim 39, further comprising:

interacting with a user to create a substrate hierarchy including one or more substrate objects defining a geometry for at least one substrate.

42. The method of claim 41, further comprising:

interacting with a user to create a one or more position objects for each substrate object in the substrate hierarchy.

43. The method of claim 41, wherein at least one substrate object corresponds to one or more source locations.

44. The method of claim 41, wherein at least one substrate object corresponds to one or more destination locations.

45. The method of claim 38, wherein:

execution of the procedure translates the component information and the mapping information to machine level commands for controlling the automated material-handling apparatus.

46. The method of claim 38, further comprising modifying the procedure during execution.

47. A system for executing a set of material processing steps, comprising:

means for receiving a recipe file comprising component information and mapping information, the mapping information relating a source component representing one or more materials to be used in a process and a destination component representing one or more materials to be used in a process, and defining one or more transfers of at least one source component material to at least one destination component location;

means for interacting with a user to create a procedure for executing the set of material processing steps, the means for interacting comprising means for providing to the user an assortment of pre-programmed code objects and means for receiving from the user a selection and arrangement of the pre-programmed code objects, the procedure being defined by the user'"'"'s selection and arrangement; and

means for carrying out the set of material processing steps by executing the procedure, wherein the procedure contains at least one first pre-programmed code object operable to read and interpret the recipe file and at least one second pre-programmed code object operable to interpret a mapping read from the recipe file.