openbabel/openbabel — pull request #83 by yishutu (2014-06-25 07:46:42+00:00)
Title: Added explicit spaces in output lines of MOL2 to avoid field overflowing...

Hi,

I just fixed snprintf lines that were not properly separated by spaces in MOL2 format. Since MOL2 is a space/tab delimited format unlike PDB or SDF, the spaces between fields are important for identifying fields. Without explicit spaces may produce confusing mol2 files when the length of data was equal or longer than field length specified before.

For example:
* Wrong:
```
4561 O1D 7.4440 16.4030 38.5240 O.co21690 HEM1690 0.0000
```
* Right:
```
4561 O1D 7.4440 16.4030 38.5240 O.co 21690 HEM1690 0.0000
```