> On 31 March 2011 18:28, Noel O'Boyle wrote:
>> Hi Greg,
>>
>> With the deprecation of the AvailDescriptors module, it seems that the
>> only way to get the list of descriptors is:
>> len(Descriptors._descList)
>>
>> I don't like accessing hidden attributes; is there some better way to do
>> t
I notice that _descList is missing at least the molecular formula and
molecular weight. What I'm really looking for is a replacement for
descDict in the original AvailDescriptors module.
- Noel
On 31 March 2011 18:28, Noel O'Boyle wrote:
> Hi Greg,
>
> With the deprecation of the AvailDescriptor
Hi Greg,
With the deprecation of the AvailDescriptors module, it seems that the
only way to get the list of descriptors is:
len(Descriptors._descList)
I don't like accessing hidden attributes; is there some better way to do this?
- Noel
---
On Thu, Mar 31, 2011 at 3:01 PM, Greg Landrum wrote:
> On Thu, Mar 31, 2011 at 2:28 PM, Noel O'Boyle wrote:
>> On 31 March 2011 13:13, Noel O'Boyle wrote:
>>>
>>> It looks like it is numpy (I have an old one, numpy 1.3.0, installed).
>>> I'm about to update it, and retry.
>>
>> Success! It works
On Thu, Mar 31, 2011 at 2:28 PM, Noel O'Boyle wrote:
> On 31 March 2011 13:13, Noel O'Boyle wrote:
>>
>> It looks like it is numpy (I have an old one, numpy 1.3.0, installed).
>> I'm about to update it, and retry.
>
> Success! It works fine with numpy 1.5.1rc1. I didn't test the newer numpys.
>
On 31 March 2011 13:13, Noel O'Boyle wrote:
> On 31 March 2011 12:45, Greg Landrum wrote:
>> On Thu, Mar 31, 2011 at 8:51 AM, James Davidson
>> wrote:
>>>
>>>
>>> It then ocurred to me that it could have been an incompatibility with an
>>> earlier Numpy version(?) Would this be involved at the
On 31 March 2011 12:45, Greg Landrum wrote:
> On Thu, Mar 31, 2011 at 8:51 AM, James Davidson
> wrote:
>>
>>
>> It then ocurred to me that it could have been an incompatibility with an
>> earlier Numpy version(?) Would this be involved at the point of import?
>> The version I reinstalled was 1.
On Thu, Mar 31, 2011 at 8:51 AM, James Davidson wrote:
>
>
> It then ocurred to me that it could have been an incompatibility with an
> earlier Numpy version(?) Would this be involved at the point of import?
> The version I reinstalled was 1.5.1rc1.
>
> Probably not going to be of help to you, bu
Hi Noel,
Recently I had issues with RDKit_2010_12_1 py2.6 binary on two machines
running XP (not 7). I was getting a crash each time I tried to "from
rdkit import Chem". After a fair bit of messing around, my rather
heavy-handed 'mend' was to delete the Python26 directory and reinstall
Python a
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