If you know that order already, it is easy to fix that.Trave11er said:Unfortunately it doesn't work because one program outputs coordinates in order 1, 2, 3...8 while the other does 1, 3, 5, 7, 2, 4, 6, 8.
I don't know, that's why I looked for alternative solutions.Isn't there some well-known chemistry program that allows to export atomic positions from the structure drawn, so that I could do sth like insert coordinates from program 1, then standardize and export new positions. Repeat for program 2 and compare?
The software works by comparing the structural and chemical properties of two molecules and calculating a similarity score based on these factors. It uses algorithms and databases to analyze the molecules and determine their similarity.
This software can compare a wide range of molecules, including small organic compounds, peptides, proteins, and nucleic acids. It can also be used to compare molecules with different sizes and complexities.
Yes, this software can be used to identify molecules that have a high similarity to known drugs, which can help in the drug discovery process. It can also be used to identify molecules that have similar properties to a specific target molecule.
The accuracy of the similarity score depends on the quality of the input data and the algorithm used by the software. Generally, the score is considered to be accurate if it is above a certain threshold, which can be adjusted by the user.
Using software to find similarity of two molecules can save time and resources compared to traditional methods of comparing molecules. It can also provide more accurate and reliable results, and can be used to compare a large number of molecules simultaneously.