Ahh ok… Interesting way to format a file! Got to love ChemAxon...
Best,
Nick
Nicholas C. Firth | PhD Student | Cancer Therapeutics
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On 29 Apr 2015, at 12:23, Paolo Tosco
<paolo.to...@unito.it<mailto:paolo.to...@unito.it>> wrote:
Hi Nick,
newlines in data properties are fine, but they should not include blank lines
(i.e., multiple newlines).
For example, in:
> <my_property1>
1
2
3
4
> <my_property2>
1234
> <my_property3>
5678
my_property1 will be truncated to just "1". Based on the specifications, if you
want to include a blank line, it should actually be either a " " or a "\t",
rather than being completely blank.
Cheers,
Paolo
On 04/29/15 12:16, Nicholas Firth wrote:
I use SD files with new lines in the properties quite frequently (inherited
from Pipeline Pilot's merge function) and I've never had a problem reading
them. I've attached an SD file that works fine for me.
In [2]: suppl = Chem.SDMolSupplier('/Volumes/nfirth/tempf.sdf')
In [3]: m = suppl[0]
In [4]: t = m.GetProp('genNum')
In [5]: print t
1
2
3
4
In [6]: print t.split('\n')
['1', '2', '3', '4']
So I guess the problem is in the writer?
Best,
Nick
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