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I want to calculate the exact surface area of an irregular 3d molecule/cluster using xyz coordinates. Is there a way?
Is there a way calculate the exact surface area of an irregular 3d molecule/cluster using xyz coordinates. I have provided the x...
2년 초과 전 | 답변 수: 1 | 0
1
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How do I convert my matlab file into .pdb or SMILES format?
I have attached the *.mat file for reference. Any help will be appreciated.
대략 3년 전 | 답변 수: 1 | 0
1
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Is there a code to convert/visualize a 3d figures (.fig) consisting of chemical bonds and structures into a 2d format, or into .pdb format?
I have some figures of molecules which I want to convert from 3d into 2d for better visualization. I have attached the files for...
대략 3년 전 | 답변 수: 1 | 0
1
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replacing numbers with alphabets/letters in a matrix
I have a excel sheet (attached file) consiting of 4000 numbers (1 to 4000). I want to replace 1, 5, 9 ...3997 and 2, 6, 10...399...
대략 4년 전 | 답변 수: 2 | 0
2
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I have created groups (clusters) on a plot using mask command but now I want to list those groups as separate columns in sheet. Can someone pls help me with the code to do so?
Hoping for an answer. Thanks in advance for your help. clear all; close; clc; filename = 'Testfile7.xlsx'; T = readtab...
4년 초과 전 | 답변 수: 0 | 0
0
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Is there any code to make column of the nodes (which connect and constitute a cluster) from a .fig matlab file? Each column will represent one cluster.
Will be grateful if someone could kindly answer. I have attached the files for your reference. Thank you in advance. Re...
4년 초과 전 | 답변 수: 0 | 0
0
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How to code and build a smaller array and 2D-plot charged particles to make clusters (as they are linked via indices) using charge, no of lone pair of electrons & bond order?
In the worksheet I have provided the indices and the charge and the lone pair of electrons' values alongwith with the specific b...
4년 초과 전 | 답변 수: 2 | 0
2
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I want to plot a xyz graph and also get clusters from the array of my data; can someone help please. Atoms are linked by indices. (attaching the sheet for reference)
I have combined the information from the bonds file and xyz file and want to plot a graph with various clusters (based on how th...
4년 초과 전 | 답변 수: 1 | 0
1
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I want to link data points based on ids (which are linked numerically) and then make clusters; finally deriving all the clusters + know each cluster size?
Since I am new to matlab, I am noob on coding; Could some one help me figure out a code when using the ids it would feasible to ...
4년 초과 전 | 답변 수: 1 | 0
