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

After a reference from Int J Body Compos Res, can any body help?

Hi, I am after the reference below, my library says it cannot obtain a copy either locally or internationally, any help appreciated! Chris Wang ZM, Heshka S, Wielopolski L, Pi-Sunyer FX, Pierson...

03 March 2021 6,193 1 View

Can we block unwanted images during the x-ray prediction?

i am try to classify the x-ray images. During classification , can i block unwanted images (except x-ray image).

03 March 2021 7,100 1 View

Does anyone know to clarify these changes?

01 March 2021 1,290 2 View

In an eye with Tyndall, does each dot correspond to an individual cell?

When you observe the presence of Tyndall in an inflamed eye: Does each of the small floating dots correspond to an individual cell or to an aggregate of cells? Does a conventional slit lamp have...

27 February 2021 6,326 2 View

How to calculate the crystallinity of cellulose film?

27 February 2021 2,753 4 View

What could be the reason for not having further low chi square value (better agreement) in my refinement result?

I have tried every combination of parameter changes and after that i have a poor chi square value. I can't get it lower any further. I know there have been a lot of discussion about Rietveld...

26 February 2021 8,480 3 View

Can anyone share his experience regards Smoothing in origin?

I am working on TiO2 composite material and the results of XRD have a lot of small/junk peaks and while I apply a smooth filter in Origin then the other characteristics peaks disappear so anyone...

26 February 2021 8,183 3 View

How to replicate the well conditions of a crystal hit with 20%(w/v) isopropanol?

I had a crystal hit in a well with 0.1M HEPEs pH 7.5, 10%(w/v) PEG 4000, and 20%(w/v) isopropanol. Why is isopropanol in w/v here if it's just solvent? How do I recreate this well condition?

25 February 2021 9,761 1 View

I have need of XRD graph analysis software for phase identification. Can you please provide links for software tools which can be downloaded?

i am trying to download x'pert high score software, but can't download it. please do suggest software for phase analysis

24 February 2021 5,687 4 View

Why the CHi^2 is close to zero with a bad fitting but the Rp and Rwp are still high?

I am refining my XRD data using in FullProf program. The intensity of the modulated X-ray peaks is almost flat. I tried to adjust the peak intensities but unsuccessful. What is the reason? I guess...

23 February 2021 2,304 4 View