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AliasesConformation code program analysis
DescriptionSince 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.
Main Institutes of managementEnvironmental Management Research Institute (EMRI), National Institute of Advanced Industrial Science and Technology (AIST)
Country of the InstituteJapan
URL of the sitehttps://staff.aist.go.jp/izumi.h/ConfCode/index.html
InterfaceWINDOWS version program available
InputProtein structure
OutputSteric conformation
Input exampleUnknown
KeywordStructure, Steric conformation, Chirality, VCD
Amount of the all data for download(Mbyte) | Method to obtain the all data.0.0|None
External resources (databases) in building the product.Unknown
Data typeProtein structure
Biological species in the main concernNone
Conditions of useNone
Frequency of updates (in last two years)Unknown
Last date of updates (date of confirmation)2016/00/00 (2019/07/09)
Main IDs used in the productsNone
How to make a link to get access to each IDs.None
external databases to which this database/tool have linksNone
Published papers (PubMed IDs)PMID:27040870
Operational StatusAvailable