SOLICITATION NOTICE
D -- Annual Site Software License Renewal
- Notice Date
- 7/27/2010
- Notice Type
- Presolicitation
- NAICS
- 541519
— Other Computer Related Services
- Contracting Office
- Department of Health and Human Services, National Institutes of Health, National Heart, Lung and Blood Institute, Rockledge Dr. Bethesda, MD, Office of Acquisitions, 6701 Rockledge Dr RKL2/6100 MSC 7902, Bethesda, Maryland, 20892-7902
- ZIP Code
- 20892-7902
- Solicitation Number
- NHLBI-PB-HG-2010-252-RSF
- Archive Date
- 8/17/2010
- Point of Contact
- Rashida S. Ferebee, Phone: 3014352605
- E-Mail Address
-
ferebeers@nhlbi.nih.gov
(ferebeers@nhlbi.nih.gov)
- Small Business Set-Aside
- Total Small Business
- Description
- THIS IS A NOTICE OF INTENT, NOT A REQUEST FOR PROPOSALS. A SOLICITATION DOCUMENT WILL NOT BE ISSUED AND PROPOSALS WILL NOT BE REQUESTED. It is the intent of the National Institutes of Health (NIH), National Heart, Lung, and Blood Institute to procure the products/services specified below from OpenEye Scientific Software, Inc., 9 Bisbee Ct., Suite D, Santa Fe, NM 87508. 1. Software Non-Profit Annual Lease Package for Cheminformatics. 2. One year lease term, to include options to renew for two (2) twelve month periods. 3. Products included: FILTER, BROOD, OMEGA, ROCS, EON, SZYBKI, FRED, QUACPAC, VIDA, VIVANT, LEXICHEM TOOLKIT, SZYBKI TOOLKIT, OGHAM TOOLKIT, ZAP TOOLKIT, & OEChem TOOLKIT. This solicitation number is NHLBI-PB(HG)-2010-252-RSF and is issued as a Request for Quotation (RFQ). The solicitation/contract will include all applicable provisions and clauses in effect through Federal Acquisition Circular 2005-44. The National Institutes of Health (NIH) Chemical Genomics Center is a component of the NIH Roadmap's Molecular Libraries Program. The center discovers and develops small molecule probes to study the function of gene products. OpenEye products provide two types of uses at The NIH Chemical Genomics Center (NCGC): 1. Scientific applications: management and analysis of small molecules, modeling of proteins and small molecule interactions. 2. Software Development Toolkits for modeling and cheminformatics: the Informatics group at the NCGC has undertaken an in-house software development effort to build an open source software system that handles the innovative operations of our center. OpenEye's scientific toolkits are needed in the NCGC's software development efforts. The site licensing of these products also allows the informatics group to deploy these scientific applications throughout the organization. Among the modeling applications are: AFITT - crystallographic refinement and analysis BROOD - bioisostere identification using shape, chemistry and electrostatic similarity EON - chemical similarity analysis via comparison of electrostatics overlay FILTER - molecular screening and selection based on physical property or functional group FRED - extremely fast, systematic docking search for ligand binding within a protein active site OMEGA - systematic high-throughput conformer generation, including 1D or 2D to 3D structure generation QUACPAC - quality charge states and charges for small molecules and proteins ROCS - chemical similarity analysis via rapid 3D molecular shape searches SMACK - molecular databases query converter and optimizer (SMARTS and MDL) SZYBKI - fast structure optimization of ligands in gas-phase, solution, or within a protein active site VIDA - graphical user interface that visualizes, analyzes and manages corporate collections of molecular structures and information WABE - electrostatics optimization of a lead compound. Among the toolkits are: Case - generalized function optimization, e.g. molecular structure optimization Lexichem - state-of-the-art compound name and structure inter-conversion OEChem - cheminformatics and 3D molecular data handling OEChem bundled apps - all the useful apps that are included with OEChem Ogham - elegant 2D structure rendering of compounds Shape - molecular shape comparisons based on 3D overlays Zap - an efficient Poisson-Boltzmann electrostatics solver AdjustCharge - adjusts formal charges on specified atoms BitVecTest - manipulates fingerprints, calculates Tanimoto Babel2 - converts data between file formats (SMILES, SLN, SDF, MOL, MOL2, PDB, FASTA, MOPAC, MacroModel, XYZ, and OEBinary) CanSMI - writes canonical SMILES Clique - enumerates common substructures Flipper - enumerates unspecified stereocenters of SMILES input Frag - SMARTS based molecular fragmentation for R-group analysis LibGen - generates product library from SMIRKS and reactant list MCSS - determines maximum common substructure MolCount - counts molecules and conformers MolGrep - searches flat files for molecules containing specified substructures PDB2Lig - ligand extraction from PDB files RMSD - determines minimum RMS distance between two molecules, with proper recognition of automorphism SimpleMolCount - reports average number of atoms, bonds and conformers Sdf2csv - writes SD tag values into comma separated format suitable for spreadsheets TPSA - 2D topology base polar surface area. In conclusion, there are no known commercially available software product packages that are comparable to those offered by OpenEye Scientific Software. In order to compare OpenEye's products, one must break down each individual tool. OpenEye products are among the best in the molecular modeling world and consist of software development toolkits that are available in various technical platforms including support for C++, Java, and Python programming languages. The NIH Chemical Genomics Center has been using this software package for three years, and the continued use is essential in maintaining data analysis continuity from project to project. This software is critical to many ongoing projects currently being processed by the informatics section, and any changes in software would cause unwanted and unknown variables. This acquisition is being conducted under FAR Part 13, Simplified Acquisition Procedures, and is exempt from the requirements of FAR Part 6, Competition Requirements. The North American Industry Classification System (NAICS) Code is 541519 and the Size Standard is $23M. This notice of intent is not a request for competitive proposals. The determination by the Government not to compete the proposed purchase order based upon responses to this notice is solely within the discretion of the Government. Comments to this announcement, referencing synopsis number NHLBI-PB-HG-2010-252-RSF may be submitted by mail to the National Heart, Lung and Blood Institute, Office of Acquisitions, Procurement Branch, 6701 Rockledge Drive, Suite 6145, Bethesda, MD 20892-7902, Attention: Rashida Ferebee, by fax transmission to (301) 480-3345 or by email to ferebeers@nhlbi.nih.gov This action is under the authority of 41.U.S.C.253(c)(1), as set forth in FAR 13.106(b)(2), and HHSAR 306-302-1. Interested parties responding to this announcement need to do so by 9:00am Eastern Standard Time on August 2, 2010.
- Web Link
-
FBO.gov Permalink
(https://www.fbo.gov/spg/HHS/NIH/NHLBI/NHLBI-PB-HG-2010-252-RSF/listing.html)
- Place of Performance
- Address: 9800 Medical Center Drive, Rockville, Maryland, 20850, United States
- Zip Code: 20850
- Zip Code: 20850
- Record
- SN02219693-W 20100729/100728000037-d33c21387a49a056e4b0b10f20760e15 (fbodaily.com)
- Source
-
FedBizOpps Link to This Notice
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