Re: [ccp4bb] NCSMASK question

2011-04-14 Thread Kevin Cowtan 
If you are trying to make a mask in spacegroup P21, that;s not the way 
to do it.


Make the mask in NCSMASK without a symmetry keyword. Then run mapmask to 
change the spacegroup to P 21 and use EXPAND OVERLAP to generate the 
symmetry copies of the mask.


Hailiang Zhang wrote:

Hi,

I want to generate a mask using NCSMASK; however, whenever I tried to add
the SYMMETRY keyword, and output mask cannot be opened in coot. The
following is my script and I was testing on PDB# 2VZ8. Thanks in advance
for any suggestions:

ncsmask xyzin ${EOMDATA}/2VZ8.pdb mskout 2VZ8-ncs.msk  eof
SYMMETRY 4
END
eof


Hailiang



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Re: [ccp4bb] NCSMASK question

2011-04-14 Thread Hailiang Zhang 
Thanks a lot!
 If you are trying to make a mask in spacegroup P21, that;s not the way
 to do it.

 Make the mask in NCSMASK without a symmetry keyword. Then run mapmask to
 change the spacegroup to P 21 and use EXPAND OVERLAP to generate the
 symmetry copies of the mask.

 Hailiang Zhang wrote:
 Hi,

 I want to generate a mask using NCSMASK; however, whenever I tried to
 add
 the SYMMETRY keyword, and output mask cannot be opened in coot. The
 following is my script and I was testing on PDB# 2VZ8. Thanks in advance
 for any suggestions:

 ncsmask xyzin ${EOMDATA}/2VZ8.pdb mskout 2VZ8-ncs.msk  eof
 SYMMETRY 4
 END
 eof


 Hailiang


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 EMAIL DISCLAIMER http://www.york.ac.uk/docs/disclaimer/email.htm

[ccp4bb] NCSMASK question

2011-04-13 Thread Hailiang Zhang 
Hi,

I want to generate a mask using NCSMASK; however, whenever I tried to add
the SYMMETRY keyword, and output mask cannot be opened in coot. The
following is my script and I was testing on PDB# 2VZ8. Thanks in advance
for any suggestions:

ncsmask xyzin ${EOMDATA}/2VZ8.pdb mskout 2VZ8-ncs.msk  eof
SYMMETRY 4
END
eof


Hailiang