How to extract the yearly cash flow data (not time-series) from HomerPro in Excel? Also how to extract the monthly average electric production data?

I want to plot the monthly average electric production data and cash flow data in another software to get a more clear graph. For this, I need to extract the monthly or yearly data and not the...

11 February 2021 2,740 2 View

How to construct complete 3D structure of a protein from two different PDB files containing two separate portions of the same protein?

Suppose, I want to model a protein's structure (containing total of 350 residues) for which there is no complete experimental structure available. However, I got two different PDB files each...

13 November 2020 9,110 3 View

How do I derive and plot an XRD pattern from a structure derived from a MD simulation?

I have performed MD simulations on a particular system, this is a molecular system in water. Upon simulating I can see that the molecules gain some form of order. I would like to know if it is...

05 November 2020 9,026 3 View

Which parameter can be used to best compare adsorption capacities of different adsorbents?

If I were to compare the adsorption of a given type of contaminant on different types of adsorbents, which parameter would best enable the best comparison? The adsorbates can be either organic or...

14 September 2020 3,592 4 View

How to to MD simulation in gromacs with three ligands?

Gromacs molecular dynamics simulation with three ligands stops at equilibration. Outpu is: starting mdrun 'Protein in water' 50 steps, 0.1 ps. step 0 Step 3, time 0.006 (ps) LINCS...

06 September 2020 6,084 3 View

Which statistical software is more preferable for cluster and path analysis?

I want to know about the statistical software which is user friendly and widely use for cluster and path analysis of the data set.

30 June 2020 2,076 13 View

G_mmpbsa stuck at reading .tpr?

After successfully carrying out a 10ns MD simulation of a protein-ligand complex from gromacs, i use the files obtained from the final mdrun to calculate g_mmpbsa. However, the process is stuck at...

23 June 2020 9,029 5 View

Multiple errors while running 'gmx grompp' ?

I am following http://www.mdtutorials.com/gmx/complex/index.html However, there are multiple errors. After reaching the Adding Ions step (http://www.mdtutorials.com/gmx/complex/04_ions.html), I...

17 June 2020 4,004 3 View

Can anybody tell me the way to use surface based rate-dependent cohesive zone model (CZM) in abaqus?

I know element based CZM in Abaqus explicit scheme has rate-dependency but not sure about this rate-dependency in surface-based CZM. Thanks!

31 March 2020 9,122 1 View

What could be the probable research topics/ideas in shipping, maritime transportation and logistics in response to the pandemic like Covid-19?

The world is now heading towards a big crisis in responding to the effect of Coronavirus, especially in the case of emergency risk response and international trade and transportation. Shipping,...

13 March 2020 9,342 4 View

How to repeat an operation on an atom selection for multiple times in PyMol?

Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...

02 March 2021 4,569 4 View

How to define and get results (stresses) for certain points of a model in abaqus, using python? When the size of the model changes?

I want to do a parameter study of a aixsymmetric cylinder in Abaqus. I want to create several jobs where I get the stresses for 3 different points in my model. These points are defined. I wrote a...

01 March 2021 10,078 1 View

Which is suitable for use with Python? MySQL or SQL Server?

Which is suitable for use with Python? MySQL or SQL Server? What is your suggestion?

01 March 2021 3,422 3 View

Can anyone provide the Support vector regression code structure of LIBSVM MATLAB or python ?

Please, if Gaussian Parameter optimization is possible in this code structure

28 February 2021 278 3 View

How to modify Johnson cook equation in ABAQUS?

I wanted to add an extra parameter to the existing Johnson cook equation in the ABAQUS simulation. How to add those extra parameters. Ref: A modified Johnson-Cook material model with strain...

28 February 2021 4,841 3 View

No module named 'tensorflow.keras.backend.tensorflow_backend' ?

System Description Cuda 11.2 GeForce GTX 1080ti tensorflow version 2.4.1 keras version 2.2.0 python version 3.8 I was getting the below error when I try to run my code on the...

25 February 2021 6,673 2 View

How do you mesh a thin solid in Fluent?

Hello, I have used the shell function on SpaceClaim to create thin solids for the model I am studying. These are contained within an enclosure for my study. I chose this approach as it avoids the...

24 February 2021 8,856 3 View

Implementation of chance-constrained optimization problem via scenario approach?

23 February 2021 7,826 2 View

Bayesian decision trees and bayesian regression trees in Python and/or R?

I am looking for implementation of bayesian decision trees and bayesian regression trees in Python and/or R.. Do you know if the existing libraries support this

23 February 2021 6,689 3 View

Are there packages (R or Python) for simple models (bucket?) to assess soil water content?

Hi everyone. I am researching droguht effects on soil water drought. I am looking for already implemented functions in R or Python to estimate soil water content from precipitation,...

21 February 2021 2,084 1 View