Hello:
I am puzzled by the output from ReplaceSubstructs as it can produce two
fragments.
So I went and tried the examples in the manual and I observed this:
The example in the intro manual with the recursive smarts pattern works as
expected.
repl = Chem.MolFromSmiles('OC')
patt =
Hello Francesco,
To quote your email: “But now, I'm not in Python. So I type py”
Is this a typo? I’m not aware of the Python interpreter launching when you type
“py”. If it does you may have defined an alias and you may be launching a
different Python executable. If you’re using the Anaconda3
OK Thanks, I'll just have to try and come next time then.
On Thu, Mar 5, 2020 at 3:50 AM Greg Landrum wrote:
> Hi Jennifer,
>
> We don't have recordings of any of the UGM presentations. Sorry.
>
> -greg
>
>
> On Wed, Mar 4, 2020 at 6:57 PM Jennifer Wei via Rdkit-discuss <
>
Of no help to Francesco whatsoever, but to save anyone else the bother...
I’ve just taken the “from __future__...” bit out of the getting started
docs in the PR I have open at the moment. It doesn’t seem worth its own PR
but it needs to be acknowledged that we are now in the future .
Dave
On
Hi Francesco,
being new in the field everything can be confusing especially with conda ;)
Just to make it clear: do you have a folder named RDKit in C://? If so
just deleted the folder and it should be working. (A student of mine did
the Same)
To clarify: anaconda installs RDKit from an online
Hi,
I'm Francesco Coppola a recent graduate student in Medicinal Chemistry in
Italy. Now I'm in Manchester and I'm doing a traineeship in computational
chemistry. During my thesis work, I deal with Docking programs (and they
always had an interface), now instead I'm trying to work with Python,
Hi Jennifer,
We don't have recordings of any of the UGM presentations. Sorry.
-greg
On Wed, Mar 4, 2020 at 6:57 PM Jennifer Wei via Rdkit-discuss <
rdkit-discuss@lists.sourceforge.net> wrote:
> Hi All,
>
> I was wondering if any of the UGM talks are recorded. I'm particularly
> interested in
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