| Name | SMARTS 3D |
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| Aliases | Conformation code program analysis |
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| Description | Since it is necessary to grasp the structure of highly precise solution state for determining the absolute configuration of chiral drugs using Vibrational Circular Dichroism (VCD) Spectrum, for the purpose of verifying cumbersome structural analysis, We developed a program which describes applicable conformation of organic molecules by clicking operation and describes it by using python scripting language. 2D chemical structural formula can be easily searched for partial structure by SMARTS. Furthermore, it is possible to search 3D fragment structure with different molecules by incorporating the patented homology determination method (patent 5672596) into the program and combining it with SMARTS. |
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| Type | Tool |
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| Main Institutes of management | Environmental Management Research Institute (EMRI), National Institute of Advanced Industrial Science and Technology (AIST) |
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| Country of the Institute | Japan |
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| URL of the site | https://staff.aist.go.jp/izumi.h/ConfCode/index.html |
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| Interface | WINDOWS version program available |
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| Input | Protein structure |
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| Output | Steric conformation |
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| Input example | Unknown |
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| Keyword | Structure, Steric conformation, Chirality, VCD |
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| Amount of the all data for download（Mbyte） | Method to obtain the all data. | 0.0|None |
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| External resources (databases) in building the product. | Unknown |
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| Data type | Protein structure |
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| Biological species in the main concern | None |
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| Conditions of use | None |
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| Frequency of updates (in last two years) | Unknown |
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| Last date of updates (date of confirmation) | 2016/00/00 (2019/07/09) |
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| Main IDs used in the products | None |
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| How to make a link to get access to each IDs. | None |
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| external databases to which this database/tool have links | None |
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| Published papers (PubMed IDs) | PMID:27040870 |
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| Operational Status | Available |
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