> Apologies if I wasn't clear. My original report (failure to read in
> a SHELX file) referred to Jmol v9.
OK ... I thought that you were on v10.
> Maybe I'm missing something, but I can't see *any* unit
> cell display functionality in the pre13 version I just
> downloaded. It reads in the ".res
Egon wrote:
>> There is some support for unit cell display in v10 ... perhaps not as
>> much
>> as v9. Please tell me what things you want.
>
> The support in v10 matches that off v9... Display of unit cell is not
> turned on by default, however...
>
> Miguel, would it be difficult to have one of t
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On Friday 27 August 2004 14:05, Miguel wrote:
> > I have tried this, and v.10 does read in the shelxl file correctly.
> > Unfortunately this version appears to have lost all of the crystal
> > unit cell display features which were the reason I was inte
> I have tried this, and v.10 does read in the shelxl file correctly.
> Unfortunately this version appears to have lost all of the crystal
> unit cell display features which were the reason I was interested
> in Jmol un the first place. Are there any plans to reinstate these?
Now I am a little c
Keith wrote:
> I have just been trying out Jmol and found a problem with the SHELX
> reader.
[snip]
> There's an error in the source logic in procedure assumeAtomRecord()
>
> if (atomName.length() > 1 &&
> Character.isDigit(atomName.charAt(1))) {
>// one letter code elementSym
I have just been trying out Jmol and found a problem with the SHELX reader.
The problem is that it balks on reading atom co-ordinates lines such as
H 10.0 0.0 0.0 0
in the particular case where the element has only 1 letter in its chemical
symbol and there is no number following. For exampl
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