Re: [R] How to draw chemical structures with R?

Thanks, I will. On Tue, Dec 6, 2022 at 7:21 AM Jeff Newmiller wrote: > > I have never seen this package mentioned on this list. You should contact the > package maintainer. > > On December 5, 2022 9:59:34 PM PST, Luigi Marongiu > wrote: > >Thanks for the tip! I think the problem is all Java-ba

Re: [R] How to draw chemical structures with R?

I have never seen this package mentioned on this list. You should contact the package maintainer. On December 5, 2022 9:59:34 PM PST, Luigi Marongiu wrote: >Thanks for the tip! I think the problem is all Java-based, the SMILES >structure comes from the example in the template, it should work. >

Re: [R] How to draw chemical structures with R?

Thanks for the tip! I think the problem is all Java-based, the SMILES structure comes from the example in the template, it should work. There is something missing in the execution... On Tue, Dec 6, 2022 at 3:12 AM LMH wrote: > > Just my opinion, but I think you would be better off to draw the str

Re: [R] How to draw chemical structures with R?

Just my opinion, but I think you would be better off to draw the structures using a drawing program like MarvinSketch (free, java based) and save the structure as a SMILES file, MOL file, or SDF. You should be able to import any of those into R. A program like MarvinSketch will check the structu

Re: [R] query in loops

So what is the problem that you would like help in correcting? The program seems to run. Thanks Jim Holtman *Data Munger Guru* *What is the problem that you are trying to solve?Tell me what you want to do, not how you want to do it.* On Mon, Dec 5, 2022 at 12:59 PM ASHLIN VARKEY wrote: > S

[R] How to draw chemical structures with R?

Hello,' I have seen from this link https://cran.r-project.org/web/packages/rcdk/vignettes/using-rcdk.html that there is a way to draw chemical structures using R via rcdk package. I tried to draw a simple structure but I got an error. What is it missing? What is the correct syntax? Thanks ``` libr

[R] query in loops

Sir, I want to write a loop in R to find the AIC factor. For its calculation, I need to run an algorithm in the attached file. Here 'x' represents the dataset and xi denotes the i-th observation after arranging it in ascending order. Q(u) and q(u) represent the quantile function and quantile densi

Re: [R] confusion about dev.prev()

Ah, thanks, got it. Misread the help again... Peter On Mon, Dec 5, 2022 at 9:38 PM Ivan Krylov wrote: > > В Mon, 5 Dec 2022 21:28:16 +0800 > Peter Langfelder пишет: > > > Open two devices, plot a plot, call dev.prev() and plot again. I > > would expect the second plot to appear in the first dev

Re: [R] confusion about dev.prev()

В Mon, 5 Dec 2022 21:28:16 +0800 Peter Langfelder пишет: > Open two devices, plot a plot, call dev.prev() and plot again. I > would expect the second plot to appear in the first device, but that > is not what happens; both plots appear in the second device. Unfortunately, dev.prev() and dev.nex

[R] confusion about dev.prev()

Hi all, I'm either confused about dev.prev() or there's a bug in it. Open two devices, plot a plot, call dev.prev() and plot again. I would expect the second plot to appear in the first device, but that is not what happens; both plots appear in the second device. Is this expected behavior or a bug