Sure. You can have as many installations as you want. Try installing
locally.
On 29 Mar 2016 2:51 p.m., "mirix" wrote:
> I have built the development version of OpenBabel in Ubuntu. However,
> regardless of installation directory, it conflicts with the stable version
> of OpenBabel installed thro
I have built the development version of OpenBabel in Ubuntu. However,
regardless of installation directory, it conflicts with the stable version
of OpenBabel installed through the package manager. If I remove that version
(installed in /usr as opposed to /usr/local), the development version works
p
I have put any aromatic atom there. It depends on you. What you want.
SymbolSymbol nameAtomic property requirementsDefault
* wildcard any atom (no default)
a aromatic aromatic (no default)
A aliphatic aliphatic (no default)
On Tue, Mar 29, 2016 at 3:37 PM David Hall wrote:
> I’m confused by why
I’m confused by why there is -!:
Your description suggests this to me:
[cH]1[cH]n[cH][cH]c1[r5]
It at least looks nice on
http://smartsview.zbh.uni-hamburg.de/smartsview/calculate?method=get
> On Mar 29, 2016, at 6:33 AM, Gravestock David GBJH
> wrote:
>
> Good day,
>
> I wonder if s
Good day,
I wonder if somebody could please help me with the construction of a SMARTS
query.
I am trying to search for compounds that have a five-membered ring attached to
the para- position of an unsubstituted pyridine ring.
I have tried the following SMARTS expression:
[c1ccncc1]-!:-!:[
On Mar 29, 2016, at 12:41 PM, Gravestock David GBJH wrote:
> I am trying to search for compounds that have a five-membered ring attached
> to the para- position of an unsubstituted pyridine ring.
>
> I have tried the following SMARTS expression:
>
> [c1ccncc1]-!:-!:[r5]
There is an excell
Hi,
I notice that you have defined the five-membered ring SMARTS with aromatic
atoms, I’ve sometimes found unexpected behaviour with the definition of
aromatic systems with small heterocyclic rings, especially if tautomeric forms
are possible.
Cheers,
Chris
Dr Chris Swain BA MA (Cantab) PhD
Good day,
I wonder if somebody could please help me with the construction of a SMARTS
query.
I am trying to search for compounds that have a five-membered ring attached to
the para- position of an unsubstituted pyridine ring.
I have tried the following SMARTS expression:
[c1ccncc1]-!:-!:[
