It’s for an old internal tool that we are updating. It has apparently some
strict parsing rules at the moment.
> On 6 May 2020, at 10:37, Greg Landrum wrote:
>
> Out of curiousity, which software are you using that can't read those index
> values?
>
> On Wed, May 6, 2020 at 11:25 AM Nicolas
Out of curiousity, which software are you using that can't read those index
values?
On Wed, May 6, 2020 at 11:25 AM Nicolas Bosc wrote:
> Hi Paolo,
>
> Thank you. You spoonfed me!
>
> Nicolas
>
> On 5 May 2020, at 17:25, Paolo Tosco wrote:
>
> Hi Nicolas,
>
> quick and dirty solution: strip it
Hi Paolo,
Thank you. You spoonfed me!
Nicolas
> On 5 May 2020, at 17:25, Paolo Tosco wrote:
>
> Hi Nicolas,
>
> quick and dirty solution: strip it with a regex, e.g.
>
> sed 's|^\(> <.*>\) *([0-9]*)|\1|'
>
> HTH,
> p.
>
> On 05/05/2020 16:35, Nicolas Bosc wrote:
>> Hi RDKit users,
>>
>>
Hi Nicolas,
quick and dirty solution: strip it with a regex, e.g.
sed 's|^\(> <.*>\) *([0-9]*)|\1|'
HTH,
p.
On 05/05/2020 16:35, Nicolas Bosc wrote:
Hi RDKit users,
Writing molecules in a sdf with properties automatically add a number
after the property name which is the position of the
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