摘要:
A method, apparatus, and article of manufacture provide the ability to control a three-dimensional scene view. A three-dimensional (3D) scene having one or more three-dimensional objects is displayed. A 3D representation of a coordinate system of the scene is displayed. The 3D representation contains a current viewpoint, one or more faces, one or more edges, and one or more corners with each face, edge, and corner representing a corresponding viewpoint of the scene. The 3D representation is manipulated. A new current viewpoint of the 3D representation is displayed based on the manipulation. The scene is then reoriented corresponding to the new current viewpoint based on the manipulation of the 3D representation.
摘要:
A method, apparatus, and article of manufacture provide the ability to control a three-dimensional scene view. A three-dimensional (3D) scene having one or more three-dimensional objects is displayed. A 3D representation of a coordinate system of the scene is displayed. The 3D representation contains a current viewpoint, one or more faces, one or more edges, and one or more corners with each face, edge, and corner representing a corresponding viewpoint of the scene. The 3D representation is manipulated. A new current viewpoint of the 3D representation is displayed based on the manipulation. The scene is then reoriented corresponding to the new current viewpoint based on the manipulation of the 3D representation.
摘要:
A one-dimensional structural description of a ligand molecule can be annotated to include, for one or more atoms, information from a force field database. The information can be provided by an Assisted Model Building and Energy Refinement parameter list or a similar source. The annotation can be carried out using one or more intermediate structural description formats and can include identifying one or more fragment types that make up the ligand molecule.
摘要:
Using annotated structural descriptions and binding data for two, four or more input ligand molecules known to bind to a given protein target, a profile of the ligand molecules can be created by identifying patches of ligand molecules which have similar chemical and/or stereochemical descriptions, scored with the use of a weight dataset (e.g., substitution matrix). A database containing annotated molecular descriptions can be searched according to the profile to identify, for example, additional ligands that can bind to the protein target. Information such as the input ligands, the additional ligands, and literature related to these molecules, and modeling tools can be displayed in a user interface.
摘要:
A one-dimensional structural description of a ligand molecule can be annotated to include, for one or more atoms, information from a force field database. The information can be provided by an Assisted Model Building and Energy Refinement parameter list or a similar source. The annotation can be carried out using one or more intermediate structural description formats and can include identifying one or more fragment types that make up the ligand molecule.
摘要:
Using annotated structural descriptions and binding data for two, four or more input ligand molecules known to bind to a given protein target, a profile of the ligand molecules can be created by identifying patches of ligand molecules which have similar chemical and/or stereochemical descriptions, scored with the use of a weight dataset (e.g., substitution matrix). A database containing annotated molecular descriptions can be searched according to the profile to identify, for example, additional ligands that can bind to the protein target. Information such as the input ligands, the additional ligands, and literature related to these molecules, and modeling tools can be displayed in a user interface.
摘要:
A system and method for managing, tracking and recording one or more biological process inputs, outputs and their derived forms is provided. The inputs pertaining to the biological process inputs, outputs and their derived forms are received and processed. The inputs include information related to the biological processes and the biological process inputs, outputs and their derived forms. The inputs further include information related to modifications in the biological process inputs, outputs and their derived forms. The inputs also include outputs of the biological processes. The inputs are processed by modifying the received inputs into a predefined format. Thereafter, the received inputs and processed inputs are stored. The stored inputs are accessed for managing, tracking and recording the biological processes, biological process inputs, outputs and their derived forms.
摘要:
A grid computing system, method, and computer program product, adapted to execute at least one workflow having a set of predefined operating parameters and including an execution module comprising a plurality of devices having a plurality of heterogeneous resources, wherein the plurality of devices is adapted to execute the at least one job by integrating the plurality of heterogeneous resources. The system further includes at least one grid workflow module. The grid workflow module includes a graphical user interface to provide at least one user to initiate and manage the at least one workflow based on the set of predefined operating parameters and the plurality of heterogeneous resources. Furthermore, the grid workflow module includes a manager module adapted to partition the at least one workflow into multiple jobs prior to the execution of the at least one workflow.
摘要:
The present invention relates to a computer-implemented method, system and computer readable medium for providing a scalable bio-informatics sequence search on cloud. The method comprises the steps of partitioning a genome data into a plurality of datasets and storing the plurality of data sets in a database. Receiving at least one sequence search request input and searching for a genome sequence in the database corresponding to the search request input and scaling of the sequence search based on the sequence search request input.
摘要:
A system and method for managing, tracking and recording one or more biological process inputs, outputs and their derived forms is provided. The inputs pertaining to the biological process inputs, outputs and their derived forms are received and processed. The inputs include information related to the biological processes and the biological process inputs, outputs and their derived forms. The inputs further include information related to modifications in the biological process inputs, outputs and their derived forms. The inputs also include outputs of the biological processes. The inputs are processed by modifying the received inputs into a predefined format. Thereafter, the received inputs and processed inputs are stored. The stored inputs are accessed for managing, tracking and recording the biological processes, biological process inputs, outputs and their derived forms.