I would like to know whether is it possible to convert SYBYL Line Notation (SNL) into Smiles with Python?
Example for N-methyl-pyrrolidone:
SNL = 'N[1](CH2CH2CH2C@1=O)CH3'
SMI = 'CN1CCCC1=O'
I haven't found any solution with RDKit :(
Chemical representation - SNL to SMILES
318 Views Asked by B.Gees At
1
There are 1 best solutions below
Related Questions in PYTHON
- C++ using std::vector across boundaries
- Linked list without struct
- Connecting Signal QML to C++ (Qt5)
- how to get the reference of struct soap inherited in C++ Proxy/Service class
- Why we can't assign value to pointer
- Conversion of objects in c++
- shared_ptr: "is not a type" error
- C++ template using pointer and non pointer arguments in a QVector
- C++ SFML 2.2 vectors
- Lifetime of temporary objects
Related Questions in RDKIT
- C++ using std::vector across boundaries
- Linked list without struct
- Connecting Signal QML to C++ (Qt5)
- how to get the reference of struct soap inherited in C++ Proxy/Service class
- Why we can't assign value to pointer
- Conversion of objects in c++
- shared_ptr: "is not a type" error
- C++ template using pointer and non pointer arguments in a QVector
- C++ SFML 2.2 vectors
- Lifetime of temporary objects
Related Questions in CHEMINFORMATICS
- C++ using std::vector across boundaries
- Linked list without struct
- Connecting Signal QML to C++ (Qt5)
- how to get the reference of struct soap inherited in C++ Proxy/Service class
- Why we can't assign value to pointer
- Conversion of objects in c++
- shared_ptr: "is not a type" error
- C++ template using pointer and non pointer arguments in a QVector
- C++ SFML 2.2 vectors
- Lifetime of temporary objects
Trending Questions
- UIImageView Frame Doesn't Reflect Constraints
- Is it possible to use adb commands to click on a view by finding its ID?
- How to create a new web character symbol recognizable by html/javascript?
- Why isn't my CSS3 animation smooth in Google Chrome (but very smooth on other browsers)?
- Heap Gives Page Fault
- Connect ffmpeg to Visual Studio 2008
- Both Object- and ValueAnimator jumps when Duration is set above API LvL 24
- How to avoid default initialization of objects in std::vector?
- second argument of the command line arguments in a format other than char** argv or char* argv[]
- How to improve efficiency of algorithm which generates next lexicographic permutation?
- Navigating to the another actvity app getting crash in android
- How to read the particular message format in android and store in sqlite database?
- Resetting inventory status after order is cancelled
- Efficiently compute powers of X in SSE/AVX
- Insert into an external database using ajax and php : POST 500 (Internal Server Error)
Popular # Hahtags
Popular Questions
- How do I undo the most recent local commits in Git?
- How can I remove a specific item from an array in JavaScript?
- How do I delete a Git branch locally and remotely?
- Find all files containing a specific text (string) on Linux?
- How do I revert a Git repository to a previous commit?
- How do I create an HTML button that acts like a link?
- How do I check out a remote Git branch?
- How do I force "git pull" to overwrite local files?
- How do I list all files of a directory?
- How to check whether a string contains a substring in JavaScript?
- How do I redirect to another webpage?
- How can I iterate over rows in a Pandas DataFrame?
- How do I convert a String to an int in Java?
- Does Python have a string 'contains' substring method?
- How do I check if a string contains a specific word?
In RDKit it's in AllChem.