I am very new to python. I have an xyz file that has the coordinates of all atoms in my system. my system consists of a few different molecules made from these atoms. I need to count the number of different molecules in this system, for eaxmple, the total number of molecule A, the total number of Molecule B, etc. I have included a snapshot of the file. The orange, yellow, and blue are the different molecules- similar to the orange section ( the PBIIII molecule) I also have a few that are PBIII. How can count the different molecules for each type from an xyz file?enter image description here
counting number of different molecules from an xyz file
299 Views Asked by user15726128 At
1
There are 1 best solutions below
Related Questions in PYTHON
- new thread blocks main thread
- Extracting viewCount & SubscriberCount from YouTube API V3 for a given channel, where channelID does not equal userID
- Display images on Django Template Site
- Difference between list() and dict() with generators
- How can I serialize a numpy array while preserving matrix dimensions?
- Protractor did not run properly when using browser.wait, msg: "Wait timed out after XXXms"
- Why is my program adding int as string (4+7 = 47)?
- store numpy array in mysql
- how to omit the less frequent words from a dictionary in python?
- Update a text file with ( new words+ \n ) after the words is appended into a list
- python how to write list of lists to file
- Removing URL features from tokens in NLTK
- Optimizing for Social Leaderboards
- Python : Get size of string in bytes
- What is the code of the sorted function?
Related Questions in COUNT
- Assigning count from enumerate
- PHP - Create unique id number for each item
- Impala Query: Combine multiple COUNT DISTINCT WHERE clauses
- MySQL Multiple Conditions on Group By / Having Clause
- Excel: Only count unique cells from Countif
- SQL Several Count
- sql select 5 higest values
- Count files in a directory while excluding others by directory and subdirectories using PHP
- What is wrong in java for loop
- Count multidimensional array
- Group by hour of day then Count # in each group
- Count Distinct Number of Email Addresses in the Results of a Query in MS Access
- Javascript constructor function to count the number of instances
- Select and create month row and count the data - MySQL
- Trying to use output of one function to influence the next function to count words in text file
Related Questions in MOLECULE
- Calculate descriptors with RDkit
- How do I get molecule to follow include_tasks correctly
- ansible molecule docker service does not start
- Calculating tanimoto similarity while using SMILES code
- Is it possible to run subset of Ansible Molecule scenarios based on some criteria
- molecule lint - Error: No such command 'lint'
- How do I share variables/facts between Molecule Playbooks?
- Error when login to Docker container using Molecule
- How to override entrypoint for molecule[podman] containers
- How to check set_fact in molecule?
- How to draw sub-structures of a polycyclic aromatic which shows bond angles correctly?
- Molecule testing of a multi-playbook repo
- counting number of different molecules from an xyz file
- Rdkit Mol object getProp("_Name") is empty. How to get ID?
- Distorted rdkit MolsToGridImage png file because 10 molecules per row. How do I fix it?
Related Questions in XYZ
- WebGL Question: Trying to make 3d object. What am I doing wrong?
- Conflicting LAB Results from RGB
- Conversion problem: Large TIFF File to XYZ Format
- Conversion ECEF XYZ to LLH (LAT/LONG/HEIGHT) and translation back - not accurate / possible error in IronPython script
- Creating markers from raster pixel values at Openlayers
- counting number of different molecules from an xyz file
- How to convert a long lat data dataframe to a xyz dataframe using R?
- How do I convert several hundrets of point clouds (xyz.files) into meshes (obj-format) using meshlab server?
- How to apply ConvertColor function to RGB values listed in a data.table in R
- cant set feature (marker/icon) from forEachTileCoord coords, openlayers
- Using format In python not working (Beginner Question)
- R: Convert time series xyz to raster
- Merge all data from xyz files in Matlab
- is there a R function to group data when they have less than X% of difference on their X, Y and Z values?
- calculating distance R from xyz data file
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 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?