Thank you very much for your effort, sir. Can I ask a question? You downloaded only biggest cluster in sdf format for the next step, WHY? Will it be better to download only one cluster (or less amount of clusters) to proceed with? Moreover, if we will you more than one cluster (i.e. 3), then how to merge these 3 downloaded sdf files together to use in future? Thank you in Advance.
@Bioinformaticsinsights5 ай бұрын
Waleed I hope you will have your answer in part 6. It is upto you how many clusters you want to download and which one exactly. You can merge them into one manually (possibly the easiest way for Biologist, after all the column info are similar in csv).
@muhammadwaleediqbal31695 ай бұрын
@@Bioinformaticsinsights Alright, Thank you very much, Sir.
@israelekoro86176 ай бұрын
Hello, I recently studied the repository on DFT. How do I input the molecule of study to run the calculations because I tried already and it runs only the molecules like benzene, anthracene that are already in the repository
@Bioinformaticsinsights6 ай бұрын
I will look to it, because I have placed those for someone else, so did not get time to explore it for other compounds